Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr12 25378652 . T A CCDS8702.1:NM_004985.3:c.346Aat>Tat_NP_004976.2:p.116N>Y Homo sapiens Kirsten rat sarcoma viral oncogene homolog (KRAS), transcript variant a, mRNA.
pdb_id: 
label_asym_id: 
label_seq_id: 
label_comp_id: 
auth_asym_id: 
auth_seq_id: 
alphafold_id: 
label_asym_id: 
label_seq_id: 
label_comp_id: 
auth_asym_id: 
auth_seq_id: 

PDB

Entity Residue Monomer BioUnit Ligand View
PDB Entity Uniprot Identity Evalue ExpMethod Date Name Label Auth ASA rASA SS φ ψ ASA rASA ΔASA Interaction Name Distance Atom(p) Atom(l)
6mqn 1 P01116 95.86 3e-120 X-RAY
 2019-07-31 ASN A:116 A:116 3.0 0.019 E -95.3 165.6 3.0 0.019 0.0 GDP
HOH
 2.530
6.796
 HD21
HD22
 N7
O
ASN B:116 B:116 3.0 0.019 E -92.3 169.8 NA NA NA
ASN C:116 C:116 4.0 0.025 E -99.5 164.7 NA NA NA
5xco 1 P01116 95.86 3e-119 X-RAY
 2017-05-24 ASN A:118 A:116 4.0 0.025 E -90.6 168.8 4.0 0.025 0.0 GDP
HOH
 3.134
6.643
 ND2
O
 N7
O
6ob3 1 P01116 95.86 4e-119 X-RAY
 2019-10-16 ASN A:117 A:116 3.0 0.019 E -96.7 167.3 3.0 0.019 0.0 GNP
HOH
 3.250
6.698
 ND2
O
 N7
O
ASN C:117 C:116 4.0 0.025 E -96.9 167.7 NA NA NA
6xgv 1 P01116 95.86 4e-119 X-RAY
 2021-01-13 ASN A:117 A:116 4.0 0.025 E -99.6 168.7 4.0 0.025 0.0 GNP
HOH
 3.177
6.732
 ND2
O
 N7
O
7kfz 1 P01116 95.86 4e-119 EM
 2021-03-31 ASN A:117 A:116 0.0 0.0 E -98.5 163.6 0.0 0.0 0.0
ASN C:117 C:116 4.0 0.025 E -81.5 177.1 4.0 0.025 0.0 GNP
 3.375
 ND2
 N7
6gj6 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 ASN A:117 A:116 3.0 0.019 E -90.3 168.1 3.0 0.019 0.0 GCP
HOH
 3.140
6.638
 ND2
O
 N7
O
6gj7 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 ASN A:117 A:116 2.0 0.013 E -86.4 167.2 2.0 0.013 0.0 GCP
HOH
 3.213
6.769
 ND2
O
 N7
O
6quv 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -84.6 167.1 4.0 0.025 0.0 GCP
HOH
 3.172
6.653
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -85.6 167.6 4.0 0.025 0.0 GCP
HOH
 3.049
7.398
 ND2
O
 N7
O
6quw 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -86.5 167.0 4.0 0.025 0.0 GCP
HOH
 3.172
6.688
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -86.9 169.2 4.0 0.025 0.0 GCP
HOH
 3.078
7.362
 ND2
O
 N7
O
6qux 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -87.3 167.2 4.0 0.025 0.0 GCP
MG
HOH
 2.315
9.573
6.691
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 4.0 0.025 E -88.6 168.1 4.0 0.025 0.0 GCP
MG
HOH
 2.241
9.632
6.695
 HD21
HD22
O
 N7
MG
O
6zli 1 P01116 95.86 4e-119 X-RAY
 2020-08-19 ASN A:117 A:116 4.0 0.025 E -83.8 166.3 4.0 0.025 0.0 GCP
HOH
 3.143
6.897
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -82.9 166.8 NA NA NA
7aca 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 ASN A:117 A:116 3.0 0.019 E -86.3 166.8 3.0 0.019 0.0 GCP
HOH
 3.099
6.637
 ND2
N
 N7
O
ASN B:117 B:116 4.0 0.025 E -86.4 167.5 NA NA NA
ASN C:117 C:116 3.0 0.019 E -86.1 164.7 NA NA NA
ASN D:117 D:116 3.0 0.019 E -86.2 166.8 3.0 0.019 0.0 GCP
HOH
 3.144
6.811
 ND2
O
 N7
O
7acf 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 ASN A:117 A:116 3.0 0.019 E -85.1 166.2 3.0 0.019 0.0 GCP
HOH
 3.136
6.771
 ND2
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -85.5 165.4 3.0 0.019 0.0 GCP
HOH
 3.183
6.786
 ND2
O
 N7
O
ASN C:117 C:116 4.0 0.025 E -85.4 165.5 NA NA NA
ASN D:117 D:116 4.0 0.025 E -84.3 163.4 NA NA NA
7ach 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 ASN A:117 A:116 3.0 0.019 E -81.8 167.0 3.0 0.019 0.0 GCP
HOH
 3.144
6.836
 ND2
N
 N7
O
ASN B:117 B:116 4.0 0.025 E -83.5 166.8 4.0 0.025 0.0 GCP
HOH
 3.070
6.651
 ND2
O
 N7
O
7acq 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 ASN A:117 A:116 4.0 0.025 E -92.2 169.6 4.0 0.025 0.0 GDP
HOH
 3.055
6.707
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -92.8 168.1 4.0 0.025 0.0 GDP
HOH
 3.073
6.809
 ND2
O
 N7
O
ASN C:117 C:116 4.0 0.025 E -91.3 165.7 4.0 0.025 0.0 GDP
HOH
 3.081
6.743
 ND2
O
 N7
O
7ew9 1 P01116 95.86 4e-119 X-RAY
 2021-12-29 ASN A:117 A:116 4.0 0.025 E -86.4 167.9 4.0 0.025 0.0 GDP
HOH
 3.232
6.644
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -91.9 170.2 NA NA NA
ASN C:117 C:116 4.0 0.025 E -97.4 170.4 NA NA NA
7ewa 1 P01116 95.86 4e-119 X-RAY
 2021-12-29 ASN A:117 A:116 4.0 0.025 E -88.2 173.1 4.0 0.025 0.0 GDP
HOH
 3.217
6.598
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -90.2 164.4 NA NA NA
ASN C:117 C:116 3.0 0.019 E -94.0 174.6 NA NA NA
7ewb 1 P01116 95.86 4e-119 X-RAY
 2021-12-29 ASN A:117 A:116 3.0 0.019 E -91.2 169.3 3.0 0.019 0.0 GDP
HOH
 3.128
6.502
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -89.8 169.2 NA NA NA
ASN C:117 C:116 4.0 0.025 E -92.2 167.1 NA NA NA
6quu 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 ASN A:134 A:116 4.0 0.025 E -86.4 168.7 4.0 0.025 0.0 GCP
MG
HOH
 2.311
9.616
6.707
 HD21
HD22
O
 N7
MG
O
ASN B:134 B:116 3.0 0.019 E -87.1 169.4 NA NA NA
6gj8 1 P01116 96.41 5e-119 X-RAY
 2019-07-31 ASN A:117 A:116 3.0 0.019 E -88.4 166.8 3.0 0.019 0.0 GCP
HOH
 3.185
6.732
 ND2
O
 N7
O
4tqa 1 P01116 96.41 5e-119 X-RAY
 2015-06-10 ASN A:117 A:116 4.0 0.025 E -94.6 167.0 4.0 0.025 0.0 GDP
MG
HOH
 2.358
9.843
6.753
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 4.0 0.025 E -94.8 171.7 NA NA NA
4ql3 1 P01116 95.86 5e-119 X-RAY
 2015-06-10 ASN A:117 A:116 5.0 0.031 E -92.7 167.2 5.0 0.031 0.0 GDP
MG
HOH
 2.349
9.794
6.591
 HD21
HD22
O
 N7
MG
O
6cu6 1 P01116 95.86 5e-119 X-RAY
 2019-09-25 ASN A:117 A:116 4.0 0.025 E -99.3 165.7 4.0 0.025 0.0 GNP
HOH
 3.147
6.643
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -91.9 167.3 NA NA NA
ASN C:117 C:116 4.0 0.025 E -96.6 169.7 NA NA NA
5us4 1 P01116 95.86 7e-119 X-RAY
 2017-03-22 ASN A:136 A:116 3.0 0.019 E -96.5 171.5 3.0 0.019 0.0 GDP
GOL
HOH
 3.163
9.139
6.638
 ND2
O
O
 N7
C3
O
ASN B:136 B:116 4.0 0.025 E -94.5 170.5 NA NA NA
5usj 1 P01116 95.86 7e-119 X-RAY
 2017-03-22 ASN A:136 A:116 3.0 0.019 E -95.8 169.4 3.0 0.019 0.0 GNP
HOH
 3.097
4.549
 ND2
O
 N7
O
ASN B:136 B:116 3.0 0.019 E -94.5 171.4 NA NA NA
ASN C:136 C:116 4.0 0.025 E -98.7 167.7 NA NA NA
ASN D:136 D:116 4.0 0.025 E -99.7 173.7 NA NA NA
ASN E:136 E:116 4.0 0.025 E -97.8 169.2 NA NA NA
ASN F:136 F:116 3.0 0.019 E -89.9 171.5 NA NA NA
4l8g 1 P01116 95.86 8e-119 X-RAY
 2013-11-27 ASN A:117 A:116 3.0 0.019 E -96.9 169.9 3.0 0.019 0.0 GDP
MG
HOH
 2.372
9.968
6.595
 HD21
HD22
O
 N7
MG
O
4ldj 1 P01116 95.86 8e-119 X-RAY
 2014-06-04 ASN A:117 A:116 5.0 0.031 E -92.9 168.1 5.0 0.031 0.0 GDP
MG
HOH
 2.429
9.809
6.598
 HD21
HD22
O
 N7
MG
O
4nmm 1 P01116 95.86 8e-119 X-RAY
 2014-06-04 ASN A:117 A:116 3.0 0.019 E -90.1 168.1 3.0 0.019 0.0 MG
Y9Z
HOH
 9.912
3.063
6.634
 ND2
ND2
O
 MG
N3
O
7a1w 1 P01116-2 95.86 8e-119 X-RAY
 2021-10-13 ASN A:117 A:116 3.0 0.019 E -90.1 169.6 3.0 0.019 0.0 GDP
QWK
HOH
 3.093
7.443
6.740
 ND2
C
O
 N7
C21
O
7a1x 1 P01116 95.86 8e-119 X-RAY
 2021-10-13 ASN A:117 A:116 4.0 0.025 E -89.9 165.6 4.0 0.025 0.0 GDP
HOH
 3.142
6.629
 ND2
O
 N7
O
7a1y 1 P01116 95.86 8e-119 X-RAY
 2021-10-13 ASN A:117 A:116 4.0 0.025 E -84.8 166.3 4.0 0.025 0.0 GDP
HOH
 2.996
6.655
 ND2
O
 N7
O
7a47 1 P01116-2 95.86 8e-119 X-RAY
 2021-10-13 ASN A:117 A:116 4.0 0.025 E -87.0 165.3 4.0 0.025 0.0 GDP
HOH
 3.155
6.613
 ND2
O
 N7
O
ASN B:117 C:116 3.0 0.019 E -91.0 167.7 NA NA NA
ASN C:117 E:116 4.0 0.025 E -88.7 168.2 NA NA NA
6gof 1 P01116 94.77 8e-119 X-RAY
 2019-02-06 ASN A:116 A:116 4.0 0.025 E -90.0 166.3 4.0 0.025 0.0 GNP
HOH
 3.137
6.839
 OD1
O
 N7
O
7rov 1 P01116 96.41 9e-119 X-RAY
 2021-09-22 ASN A:117 A:116 4.0 0.025 E -90.0 169.9 4.0 0.025 0.0 GCP
HOH
 3.230
6.718
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -88.9 169.7 NA NA NA
5vp7 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -97.9 168.2 4.0 0.025 0.0 GDP
NA
HOH
 3.121
8.688
6.668
 ND2
ND2
O
 N7
NA
O
ASN B:117 F:116 4.0 0.025 E -98.8 170.8 NA NA NA
5vpi 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -93.3 168.8 4.0 0.025 0.0 GTP
HOH
 3.107
6.599
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -94.2 170.1 NA NA NA
5vpy 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -97.7 168.3 4.0 0.025 0.0 9GM
HOH
 3.267
6.533
 OD1
O
 O13
O
ASN B:117 B:116 4.0 0.025 E -94.7 167.4 NA NA NA
5vpz 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -92.8 169.7 4.0 0.025 0.0 GSP
HOH
 3.193
6.498
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -93.7 168.9 NA NA NA
5vq0 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -100.5 176.4 4.0 0.025 0.0 GDP
HOH
 3.177
6.742
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -101.7 176.3 NA NA NA
5ufq 1 P01116 96.99 9e-119 X-RAY
 2017-08-02 ASN A:116 A:116 4.0 0.025 E -93.5 169.4 NA NA NA
ASN B:116 B:116 4.0 0.025 E -94.8 167.7 4.0 0.025 0.0 GNP
HOH
 3.174
6.721
 ND2
O
 N7
O
6e6f 1 P01116 96.99 9e-119 X-RAY
 2019-07-31 ASN A:116 A:116 6.0 0.037 E -99.0 169.2 6.0 0.037 0.0 GNP
 2.656
 ND2
 N7
ASN B:116 B:116 1.0 0.006 E -89.8 -177.7 NA NA NA
6e6g 1 P01116 96.99 9e-119 X-RAY
 2019-07-31 ASN A:116 A:116 4.0 0.025 E -98.1 170.0 4.0 0.025 0.0 GDP
HOH
 3.072
6.886
 ND2
N
 N7
O
6ws4 1 P01116 95.27 1e-118 X-RAY
 2021-11-10 ASN A:117 A:116 4.0 0.025 E -93.3 164.9 4.0 0.025 0.0 GDP
HOH
 3.166
6.674
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -94.0 165.8 NA NA NA
ASN C:117 C:116 4.0 0.025 E -90.9 165.8 NA NA NA
ASN D:117 D:116 4.0 0.025 E -91.1 165.6 NA NA NA
6mqg 1 P01116 95.81 1e-118 X-RAY
 2019-07-31 ASN A:114 A:116 4.0 0.025 E -89.2 166.4 4.0 0.025 0.0 GDP
HOH
 2.489
5.799
 HD21
HD21
 N7
O
5kyk 1 P01116 96.41 1e-118 X-RAY
 2017-04-12 ASN A:117 A:116 4.0 0.025 E -86.0 169.2 4.0 0.025 0.0 6ZD
HOH
 3.106
9.804
 ND2
C
 N15
O
ASN B:117 B:116 3.0 0.019 E -86.2 169.0 NA NA NA
ASN C:117 C:116 4.0 0.025 E -82.5 170.6 NA NA NA
5v71 1 P01116 96.41 1e-118 X-RAY
 2017-08-23 ASN A:117 A:116 4.0 0.025 E -92.9 172.9 4.0 0.025 0.0 GDP
HOH
 3.102
6.613
 ND2
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -95.8 164.4 NA NA NA
ASN C:117 C:116 3.0 0.019 E -103.4 165.6 NA NA NA
ASN D:117 D:116 4.0 0.025 E -90.9 170.9 NA NA NA
ASN E:117 E:116 3.0 0.019 E -103.7 166.5 NA NA NA
ASN F:117 F:116 4.0 0.025 E -97.3 166.3 NA NA NA
5v9l 1 P01116 96.41 1e-118 X-RAY
 2017-08-23 ASN A:117 A:116 4.0 0.025 E -103.6 165.4 4.0 0.025 0.0 GDP
HOH
 3.169
6.592
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -96.0 169.6 NA NA NA
ASN C:117 C:116 4.0 0.025 E -92.7 167.8 NA NA NA
5v9o 1 P01116 96.41 1e-118 X-RAY
 2017-08-23 ASN A:117 A:116 3.0 0.019 E -95.2 169.1 3.0 0.019 0.0 GDP
HOH
 3.109
6.630
 ND2
O
 N7
O
7eyx 1 P01116-2 95.83 2e-118 X-RAY
 2021-06-16 ASN A:116 A:116 3.0 0.019 E -98.3 169.5 3.0 0.019 0.0 GDP
HOH
 2.386
6.781
 HD21
O
 N7
O
7f0w 1 P01116-2 95.83 2e-118 X-RAY
 2021-06-23 ASN A:116 A:116 4.0 0.025 E -89.6 169.1 4.0 0.025 0.0 GDP
HOH
 2.409
6.087
 HD21
HD21
 N7
O
4epr 1 P01116 95.27 3e-118 X-RAY
 2012-05-23 ASN A:117 A:116 4.0 0.025 E -98.7 176.7 4.0 0.025 0.0 GDP
HOH
 3.055
6.446
 ND2
O
 N7
O
6gj5 1 P01116 95.27 3e-118 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -96.7 170.7 4.0 0.025 0.0 GCP
HOH
 3.075
6.756
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -94.8 169.3 NA NA NA
6zl5 1 P01116 95.27 3e-118 X-RAY
 2020-08-19 ASN A:117 A:116 4.0 0.025 E -89.5 167.2 4.0 0.025 0.0 GDP
HOH
 3.151
6.698
 ND2
O
 N7
O
6w4e 2 P01116 96.39 9e-118 NMR
 2020-04-15 ASN C:116 B:116 3.0 0.019 E -89.2 174.4 3.0 0.019 0.0 GSP
 2.130
 HD22
 N7
ASN D:116 C:116 4.0 0.025 E -96.1 164.4 4.0 0.025 0.0 GSP
MG
 1.811
9.976
 HD22
HD21
 N7
MG
7rsc 1 P01116 96.39 9e-118 NMR
 2021-09-22 ASN A:116 A:116 3.0 0.019 E -101.1 165.5 3.0 0.019 0.0 GSP
 1.869
 HD22
 N7
ASN B:116 B:116 4.0 0.025 E -103.0 165.5 4.0 0.025 0.0 GSP
 1.879
 HD22
 N7
7rse 1 P01116 96.39 9e-118 NMR
 2021-09-22 ASN A:116 A:116 6.0 0.037 E -112.2 169.0 6.0 0.037 0.0 GSP
MG
 1.848
9.974
 HD22
HD21
 N7
MG
ASN B:116 B:116 12.0 0.075 E -102.5 174.9 12.0 0.075 0.0 GSP
MG
 1.940
9.760
 HD22
HD21
 N7
MG
4dsn 1 P01116 96.39 1e-117 X-RAY
 2012-04-25 ASN A:117 A:116 2.0 0.013 E -90.7 168.4 2.0 0.013 0.0 GCP
HOH
 3.228
6.797
 ND2
O
 N7
O
4dso 1 P01116 96.39 1e-117 X-RAY
 2012-04-04 ASN A:117 A:116 4.0 0.025 E -92.2 165.4 4.0 0.025 0.0 GSP
HOH
 3.211
6.867
 ND2
O
 N7
O
4dst 1 P01116 96.39 1e-117 X-RAY
 2012-04-04 ASN A:117 A:116 4.0 0.025 E -94.0 167.9 4.0 0.025 0.0 GCP
HOH
 3.269
6.741
 ND2
O
 N7
O
4dsu 1 P01116 96.39 1e-117 X-RAY
 2012-04-04 ASN A:117 A:116 4.0 0.025 E -94.1 165.2 4.0 0.025 0.0 GDP
HOH
 3.172
5.933
 ND2
C
 N7
O
5ocg 1 P01116 96.39 1e-117 X-RAY
 2018-08-22 ASN A:117 A:116 4.0 0.025 E -89.9 164.1 4.0 0.025 0.0 GNP
HOH
 3.202
6.748
 ND2
O
 N7
O
6w4f 2 P01116 96.39 2e-117 NMR
 2020-04-29 ASN C:115 B:116 5.0 0.031 E -106.7 163.5 5.0 0.031 0.0 GDP
MG
 1.958
9.309
 HD22
HD21
 N7
MG
ASN D:115 C:116 6.0 0.037 E -109.2 167.1 6.0 0.037 0.0 GDP
MG
 1.869
9.144
 HD22
HD21
 N7
MG
6wgn 1 P01116 94.08 1e-116 X-RAY
 2020-10-14 ASN A:116 A:116 4.0 0.025 E -92.3 171.0 4.0 0.025 0.0 GNP
HOH
 3.070
6.594
 ND2
O
 N7
O
ASN B:116 B:116 4.0 0.025 E -93.3 169.3 NA NA NA
ASN C:116 C:116 4.0 0.025 E -92.0 171.1 NA NA NA
7rpz 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 ASN A:117 A:116 4.0 0.025 E -93.6 170.5 4.0 0.025 0.0 GDP
HOH
 3.129
5.960
 ND2
O
 N7
O
7rt1 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 ASN A:117 A:116 4.0 0.025 E -91.4 170.8 4.0 0.025 0.0 GDP
HOH
 3.128
6.068
 ND2
O
 N7
O
7rt2 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 ASN A:117 A:116 4.0 0.025 E -93.9 166.5 4.0 0.025 0.0 GDP
HOH
 3.024
6.707
 ND2
O
 N7
O
7rt3 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 ASN A:117 A:116 4.0 0.025 E -95.3 170.9 4.0 0.025 0.0 GDP
HOH
 3.106
6.082
 ND2
O
 N7
O
7rt4 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 ASN A:117 A:116 4.0 0.025 E -96.5 171.0 4.0 0.025 0.0 GDP
HOH
 3.109
6.022
 ND2
O
 N7
O
7rt5 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 ASN A:117 A:116 4.0 0.025 E -92.7 169.6 4.0 0.025 0.0 GDP
HOH
 3.128
5.899
 ND2
O
 N7
O
6epl 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 ASN A:117 R:116 2.0 0.013 E -100.1 132.7 2.0 0.013 0.0 HOH
 3.556
 ND2
 O
6epm 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 ASN A:117 R:116 1.0 0.006 E -102.3 136.1 1.0 0.006 0.0 HOH
 8.079
 ND2
 O
6epn 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 ASN A:117 R:116 1.0 0.006 E -107.4 131.5 1.0 0.006 0.0 HOH
 6.410
 N
 O
6epo 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 ASN A:117 R:116 0.0 0.0 E -105.5 137.5 0.0 0.0 0.0 HOH
 6.629
 N
 O
6epp 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 ASN A:117 R:116 0.0 0.0 E -111.4 133.1 0.0 0.0 0.0 HOH
 6.571
 N
 O
6t5v 1 P01116 94.08 9e-116 X-RAY
 2020-02-19 ASN A:116 A:116 4.0 0.025 E -88.3 169.2 4.0 0.025 0.0 GDP
HOH
 3.121
6.694
 ND2
O
 N7
O
6oim 1 P01116 94.08 1e-115 X-RAY
 2019-11-06 ASN A:130 A:116 4.0 0.025 E -91.1 170.8 4.0 0.025 0.0 GDP
HOH
 3.105
5.834
 ND2
O
 N7
O
6p8w 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 ASN A:130 A:116 4.0 0.025 E -87.4 165.1 4.0 0.025 0.0 GDP
HOH
 3.109
6.571
 ND2
O
 N7
O
ASN B:130 B:116 4.0 0.025 E -87.5 164.9 NA NA NA
6p8x 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 ASN A:130 A:116 4.0 0.025 E -91.4 162.7 4.0 0.025 0.0 GDP
HOH
 3.108
6.588
 ND2
O
 N7
O
ASN B:130 B:116 4.0 0.025 E -92.1 163.4 NA NA NA
ASN C:130 C:116 3.0 0.019 E -93.2 161.9 NA NA NA
ASN D:130 D:116 6.0 0.037 E -93.2 164.3 NA NA NA
6p8y 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 ASN A:130 A:116 4.0 0.025 E -91.2 162.0 4.0 0.025 0.0 GDP
HOH
 3.304
8.803
 ND2
ND2
 N7
O
ASN B:130 B:116 4.0 0.025 E -90.8 161.9 NA NA NA
6p8z 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 ASN A:130 A:116 4.0 0.025 E -89.2 166.2 4.0 0.025 0.0 GDP
HOH
 3.067
6.912
 ND2
O
 N7
O
ASN B:130 B:116 5.0 0.031 E -88.8 165.8 NA NA NA
6pgo 1 P01116 94.08 1e-115 X-RAY
 2019-12-25 ASN A:130 A:116 4.0 0.025 E -95.6 166.7 4.0 0.025 0.0 GDP
HOH
 3.143
6.553
 ND2
N
 N7
O
ASN B:130 B:116 3.0 0.019 E -95.8 166.4 NA NA NA
6pgp 1 P01116 94.08 1e-115 X-RAY
 2019-12-25 ASN A:130 A:116 4.0 0.025 E -90.8 168.4 4.0 0.025 0.0 GDP
HOH
 3.134
5.802
 ND2
O
 N7
O
ASN B:130 B:116 4.0 0.025 E -94.2 166.6 NA NA NA
4lrw 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -84.8 170.5 4.0 0.025 0.0 GDP
HOH
 3.094
6.743
 ND2
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -83.9 168.2 3.0 0.019 0.0 GDP
HOH
 3.066
6.751
 ND2
O
 N7
O
4luc 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -93.9 169.1 4.0 0.025 0.0 GDP
HOH
 2.381
5.645
 HD21
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -91.5 167.8 4.0 0.025 0.0 GDP
HOH
 2.423
6.738
 HD21
O
 N7
O
4lv6 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -96.2 169.6 4.0 0.025 0.0 GDP
HOH
 2.399
5.570
 HD21
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -94.6 165.9 4.0 0.025 0.0 GDP
HOH
 2.371
6.676
 HD21
O
 N7
O
4lyf 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -96.9 171.4 4.0 0.025 0.0 GDP
HOH
 2.460
6.088
 HD22
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -94.0 167.7 3.0 0.019 0.0 GDP
HOH
 2.526
6.592
 HD21
O
 N7
O
ASN C:117 C:116 4.0 0.025 E -94.1 165.7 4.0 0.025 0.0 GDP
HOH
 2.455
6.655
 HD22
O
 N7
O
4lyh 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -92.6 170.9 4.0 0.025 0.0 GDP
HOH
 2.504
6.011
 HD22
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -92.6 169.4 4.0 0.025 0.0 GDP
HOH
 2.492
6.583
 HD22
O
 N7
O
ASN C:117 C:116 4.0 0.025 E -93.7 167.3 4.0 0.025 0.0 GDP
HOH
 2.450
6.379
 HD22
HA
 N7
O
4lyj 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 3.0 0.019 E -97.8 168.3 3.0 0.019 0.0 GDP
HOH
 3.147
6.761
 ND2
O
 N7
O
4m1o 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -98.0 170.0 4.0 0.025 0.0 GDP
HOH
 2.439
5.925
 HD22
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -95.0 167.7 NA NA NA
ASN C:117 C:116 4.0 0.025 E -93.4 166.8 NA NA NA
4m1s 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -99.6 169.8 4.0 0.025 0.0 GDP
HOH
 2.444
5.988
 HD22
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -94.1 165.4 NA NA NA
ASN C:117 C:116 4.0 0.025 E -95.4 167.2 NA NA NA
4m1t 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -91.7 169.7 4.0 0.025 0.0 GDP
HOH
 2.436
6.147
 HD21
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -94.1 167.7 NA NA NA
ASN C:117 C:116 4.0 0.025 E -94.3 166.8 NA NA NA
4m1w 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -93.5 169.5 4.0 0.025 0.0 MG
GDP
HOH
 9.945
2.413
5.981
 HD21
HD22
O
 MG
N7
O
ASN B:117 B:116 4.0 0.025 E -94.7 166.9 NA NA NA
ASN C:117 C:116 4.0 0.025 E -95.2 165.7 NA NA NA
4m1y 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -95.0 169.4 4.0 0.025 0.0 GDP
HOH
 2.451
6.026
 HD22
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -93.6 168.0 NA NA NA
ASN C:117 C:116 4.0 0.025 E -93.0 165.1 NA NA NA
4m21 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -96.9 169.8 4.0 0.025 0.0 GDP
HOH
 2.421
6.161
 HD22
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -93.7 166.7 NA NA NA
ASN C:117 C:116 4.0 0.025 E -92.2 168.5 NA NA NA
4m22 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -96.2 171.9 4.0 0.025 0.0 MG
GDP
HOH
 9.751
2.497
6.753
 HD22
HD21
O
 MG
N7
O
ASN B:117 B:116 5.0 0.031 E -88.5 168.7 NA NA NA
ASN C:117 C:116 3.0 0.019 E -98.6 169.2 NA NA NA
5f2e 1 P01116 94.08 1e-115 X-RAY
 2016-01-13 ASN A:117 A:116 4.0 0.025 E -92.6 168.9 4.0 0.025 0.0 GDP
HOH
 3.153
6.574
 ND2
O
 N7
O
5v6s 1 P01116 94.08 1e-115 X-RAY
 2017-06-28 ASN A:117 A:116 3.0 0.019 E -92.6 166.5 3.0 0.019 0.0 GDP
MG
HOH
 2.530
9.865
6.554
 HD21
HD22
O
 N7
MG
O
5v6v 1 P01116 94.08 1e-115 X-RAY
 2017-06-28 ASN A:117 A:116 4.0 0.025 E -94.6 171.5 4.0 0.025 0.0 GDP
HOH
 2.426
6.047
 HD21
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -90.3 167.1 4.0 0.025 0.0 GDP
HOH
 2.367
6.792
 HD21
O
 N7
O
5v9u 1 P01116 94.08 1e-115 X-RAY
 2018-02-07 ASN A:117 A:116 4.0 0.025 E -91.2 166.7 4.0 0.025 0.0 GDP
HOH
 3.077
6.709
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -91.5 166.5 NA NA NA
5yxz 1 P01116 94.08 1e-115 X-RAY
 2018-04-18 ASN A:117 A:116 4.0 0.025 E -91.7 166.9 4.0 0.025 0.0 GDP
EDO
HOH
 3.068
7.608
6.675
 ND2
O
O
 N7
O2
O
5yy1 1 P01116 94.08 1e-115 X-RAY
 2018-04-18 ASN A:117 A:116 4.0 0.025 E -92.9 167.7 4.0 0.025 0.0 GDP
HOH
 3.105
5.902
 ND2
O
 N7
O
6ark 1 P01116 94.08 1e-115 X-RAY
 2018-01-31 ASN A:117 A:116 3.0 0.019 E -97.0 166.7 3.0 0.019 0.0 GDP
MG
BQD
GOL
HOH
 2.407
9.866
9.314
8.429
6.480
 HD21
HD22
HD22
O
O
 N7
MG
H091
H11
O
6b0v 1 P01116 94.08 1e-115 X-RAY
 2018-05-16 ASN A:117 A:116 4.0 0.025 E -91.0 169.0 4.0 0.025 0.0 GDP
HOH
 3.105
6.627
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -92.2 165.3 NA NA NA
6b0y 1 P01116 94.08 1e-115 X-RAY
 2018-05-16 ASN A:117 A:116 4.0 0.025 E -89.4 168.4 4.0 0.025 0.0 GDP
HOH
 3.092
6.738
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -89.7 170.1 NA NA NA
6n2j 1 P01116 94.08 1e-115 X-RAY
 2018-12-12 ASN A:117 A:116 4.0 0.025 E -90.4 166.5 4.0 0.025 0.0 GDP
HOH
 3.082
5.961
 ND2
O
 N7
O
6n2k 1 P01116 94.08 1e-115 X-RAY
 2018-12-12 ASN A:117 A:116 4.0 0.025 E -91.2 171.6 4.0 0.025 0.0 GDP
HOH
 3.124
5.894
 ND2
O
 N7
O
6tam 1 P01116 94.08 1e-115 X-RAY
 2020-04-08 ASN A:117 A:116 4.0 0.025 E -94.4 167.3 4.0 0.025 0.0 GDP
HOH
 3.123
6.161
 ND2
O
 N7
O
6tan 1 P01116 94.08 1e-115 X-RAY
 2020-04-08 ASN A:117 A:116 4.0 0.025 E -92.6 166.7 4.0 0.025 0.0 GDP
HOH
 3.151
6.671
 ND2
N
 N7
O
6usx 1 P01116 94.08 1e-115 X-RAY
 2020-04-22 ASN A:117 A:116 4.0 0.025 E -97.9 166.6 4.0 0.025 0.0 GDP
MG
HOH
 2.352
9.870
6.901
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 4.0 0.025 E -93.7 167.4 NA NA NA
6usz 1 P01116 94.08 1e-115 X-RAY
 2020-04-22 ASN A:117 A:116 4.0 0.025 E -95.3 164.0 4.0 0.025 0.0 GDP
HOH
 3.179
6.016
 ND2
N
 N7
O
6ut0 1 P01116 94.08 1e-115 X-RAY
 2020-04-22 ASN A:117 A:116 4.0 0.025 E -94.0 165.1 4.0 0.025 0.0 GDP
MG
HOH
 2.475
9.850
5.931
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 5.0 0.031 E -86.1 166.1 NA NA NA
ASN C:117 C:116 4.0 0.025 E -93.5 163.0 NA NA NA
ASN D:117 D:116 4.0 0.025 E -95.3 164.9 NA NA NA
6t5u 1 A0A024RAV5 94.61 2e-115 X-RAY
 2020-02-19 ASN A:117 A:116 4.0 0.025 E -89.1 162.6 4.0 0.025 0.0 GDP
HOH
 3.121
6.848
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -91.9 164.5 NA NA NA
6t5b 1 P01116 93.49 3e-115 X-RAY
 2020-02-26 ASN A:117 A:116 4.0 0.025 E -92.7 170.5 4.0 0.025 0.0 GDP
HOH
 3.179
5.617
 ND2
OD1
 N7
O
6mqt 1 P01112 93.37 5e-115 X-RAY
 2020-04-15 ASN A:117 A:116 4.0 0.025 E -91.9 167.2 4.0 0.025 0.0 GDP
MG
HOH
 2.392
9.837
6.696
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 4.0 0.025 E -94.2 168.0 NA NA NA
ASN C:117 C:116 4.0 0.025 E -93.4 167.9 NA NA NA
ASN D:117 D:116 4.0 0.025 E -92.2 168.6 NA NA NA
ASN E:117 E:116 4.0 0.025 E -93.0 168.4 NA NA NA
ASN F:117 F:116 4.0 0.025 E -93.0 168.5 NA NA NA
ASN G:117 G:116 4.0 0.025 E -97.4 165.8 NA NA NA
ASN H:117 H:116 4.0 0.025 E -97.6 167.3 NA NA NA
6dzh 1 P01112 93.37 2e-114 X-RAY
 2019-07-10 ASN A:116 A:116 4.0 0.025 E -101.1 164.5 4.0 0.025 0.0 GDP
GOL
HOH
 3.152
9.422
6.481
 ND2
O
O
 N7
O2
O
ASN B:116 B:116 4.0 0.025 E -91.8 168.3 NA NA NA
ASN C:116 C:116 4.0 0.025 E -96.9 172.5 NA NA NA
6e6c 1 P01112 93.37 2e-114 X-RAY
 2019-07-31 ASN A:116 A:116 4.0 0.025 E -91.1 171.6 4.0 0.025 0.0 GNP
HOH
 3.160
6.813
 ND2
O
 N7
O
6e6p 1 P01112 93.37 2e-114 X-RAY
 2019-07-31 ASN A:116 A:116 4.0 0.025 E -94.1 164.7 4.0 0.025 0.0 GNP
GOL
HOH
 3.268
6.696
6.610
 ND2
ND2
O
 N7
O1
O
ASN B:116 B:116 4.0 0.025 E -99.7 165.2 NA NA NA
ASN C:116 C:116 4.0 0.025 E -98.4 168.6 NA NA NA
1agp 1 P01112 93.37 2e-114 X-RAY
 1994-04-30 ASN A:116 A:116 3.0 0.019 E -94.1 170.7 3.0 0.019 0.0 MG
GNP
HOH
 9.622
2.379
6.477
 HD22
HD21
O
 MG
N7
O
6zj0 1 P01112 93.37 2e-114 X-RAY
 2020-08-19 ASN A:117 A:116 4.0 0.025 E -89.1 166.9 4.0 0.025 0.0 MG
GCP
HOH
 9.472
2.463
6.277
 HD22
HD21
O
 MG
N7
O
421p 1 P01112 93.37 2e-114 X-RAY
 1994-01-31 ASN A:116 A:116 4.0 0.025 E -85.8 160.3 4.0 0.025 0.0 GNP
HOH
 3.357
7.743
 ND2
ND2
 N7
O
1clu 1 P01112 93.37 2e-114 X-RAY
 1999-05-28 ASN A:116 A:116 4.0 0.025 E -92.2 166.4 4.0 0.025 0.0 DBG
HOH
 3.214
6.701
 ND2
O
 N7
O
1jai 1 P01112 93.37 2e-114 X-RAY
 1997-07-23 ASN A:116 A:116 4.0 0.025 E -94.6 167.4 4.0 0.025 0.0 GCP
HOH
 3.330
6.816
 ND2
O
 N7
O
1plj 1 P01112 93.37 2e-114 X-RAY
 1994-07-31 ASN A:116 A:116 10.0 0.062 E -90.7 166.6 10.0 0.062 0.0 CAG
 3.544
 ND2
 O6
1pll 1 P01112 93.37 2e-114 X-RAY
 1994-07-31 ASN A:116 A:116 8.0 0.05 E -81.6 166.2 8.0 0.05 0.0 GDP
 5.099
 C
 O6
821p 1 P01112 93.37 2e-114 X-RAY
 1994-01-31 ASN A:116 A:116 3.0 0.019 E -90.7 169.9 3.0 0.019 0.0 MG
GNP
HOH
 9.637
2.460
6.351
 HD22
HD21
O
 MG
N7
H2
4l9s 1 P01112 93.37 3e-114 X-RAY
 2013-11-27 ASN A:121 A:116 4.0 0.025 E -92.5 168.5 4.0 0.025 0.0 GDP
MG
HOH
 2.419
9.968
6.673
 HD21
HD22
O
 N7
MG
O
4l9w 1 P01112 93.37 3e-114 X-RAY
 2013-11-27 ASN A:121 A:116 3.0 0.019 E -94.8 169.8 3.0 0.019 0.0 GNP
HOH
 3.190
6.696
 ND2
O
 N7
O
7l0g 1 P01112 93.37 3e-114 X-RAY
 2021-03-24 ASN A:117 A:116 5.0 0.031 E -93.0 167.1 5.0 0.031 0.0 GSP
HOH
 3.109
6.636
 ND2
O
 N7
O
ASN B:117 B:116 5.0 0.031 E -94.3 166.9 NA NA NA
ASN E:117 E:116 5.0 0.031 E -94.8 167.0 NA NA NA
ASN G:117 G:116 5.0 0.031 E -94.0 167.6 NA NA NA
1jah 1 P01112 93.37 7e-114 X-RAY
 1997-07-23 ASN A:116 A:116 3.0 0.019 E -94.5 167.2 3.0 0.019 0.0 GCP
HOH
 3.297
7.525
 ND2
ND2
 N7
O
1plk 1 P01112 93.37 7e-114 X-RAY
 1994-07-31 ASN A:116 A:116 5.0 0.031 E -95.8 165.6 5.0 0.031 0.0 MG
GTP
 8.535
3.130
 ND2
ND2
 MG
N7
6e6h 1 P01111 93.37 7e-114 X-RAY
 2019-07-31 ASN A:116 A:116 3.0 0.019 E -94.1 168.0 3.0 0.019 0.0 MG
GNP
HOH
 9.993
3.188
6.841
 ND2
OD1
O
 MG
O6
O
6ms9 1 P01116 96.45 6e-112 X-RAY
 2020-04-15 ASN A:116 C:116 4.0 0.025 E -93.0 169.1 4.0 0.025 0.0 GDP
MG
HOH
 2.397
9.811
6.606
 HD21
HD22
O
 N7
MG
O
ASN B:116 B:116 4.0 0.025 E -98.3 167.0 NA NA NA
ASN C:116 A:116 4.0 0.025 E -94.8 166.0 NA NA NA
6v5l 1 P01116 96.45 6e-112 NMR
 2019-12-18 ASN A:116 A:116 6.0 0.037 E -81.7 166.5 6.0 0.037 0.0 GDP
 2.238
 HD22
 N7
7lgi 1 P01116 96.45 6e-112 NMR
 2021-07-21 ASN A:116 A:116 5.0 0.031 E -82.5 166.7 5.0 0.031 0.0 GDP
 2.482
 HD22
 N7
4q21 1 P01112 86.77 7e-112 X-RAY
 1992-07-15 ASN A:116 A:116 4.0 0.025 E -89.2 160.3 4.0 0.025 0.0 GDP
HOH
 3.290
7.547
 ND2
ND2
 N7
O
4lpk 1 P01116 96.45 9e-112 X-RAY
 2013-11-27 ASN A:117 A:116 4.0 0.025 E -89.5 167.4 4.0 0.025 0.0 GDP
HOH
 2.562
6.654
 HD21
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -90.4 166.7 NA NA NA
4obe 1 P01116 96.45 9e-112 X-RAY
 2014-06-04 ASN A:117 A:116 4.0 0.025 E -92.2 168.1 4.0 0.025 0.0 GDP
MG
HOH
 2.357
9.807
6.690
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 5.0 0.031 E -91.2 167.1 NA NA NA
6mbt 1 P01116 96.45 9e-112 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -96.1 167.4 4.0 0.025 0.0 GDP
MG
HOH
 2.448
9.817
6.769
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 4.0 0.025 E -95.7 166.4 NA NA NA
6mbu 1 P01116 96.45 9e-112 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -93.4 167.8 4.0 0.025 0.0 MG
GDP
GOL
HOH
 9.794
2.376
9.128
6.569
 HD22
HD21
HD21
O
 MG
N7
HO3
O
ASN B:117 B:116 4.0 0.025 E -93.5 168.9 NA NA NA
6ob2 1 P01116 96.45 9e-112 X-RAY
 2019-10-16 ASN A:117 A:116 4.0 0.025 E -91.9 169.4 4.0 0.025 0.0 GNP
HOH
 3.190
8.807
 ND2
ND2
 N7
O
ASN C:117 C:116 13.0 0.081 E -100.7 168.4 NA NA NA
6v65 3 P01116 96.45 9e-112 X-RAY
 2020-07-15 ASN C:117 C:116 3.0 0.019 E -90.6 173.9 3.0 0.019 0.0 GNP
 3.242
 ND2
 N7
6vc8 1 P01116 96.45 9e-112 X-RAY
 2021-02-10 ASN A:117 A:116 3.0 0.019 E -93.8 169.0 3.0 0.019 0.0 GNP
HOH
 3.307
6.627
 ND2
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -93.7 169.2 NA NA NA
ASN C:117 C:116 2.0 0.013 E -93.1 169.0 NA NA NA
6vjj 1 P01116 96.45 9e-112 X-RAY
 2020-11-25 ASN A:117 A:116 4.0 0.025 E -101.0 164.2 4.0 0.025 0.0 GNP
HOH
 3.084
6.673
 ND2
O
 N7
O
6xhb 1 P01116 96.45 9e-112 X-RAY
 2021-01-13 ASN A:117 A:116 3.0 0.019 E -94.2 173.3 3.0 0.019 0.0 GNP
MG
HOH
 3.134
9.916
8.542
 ND2
ND2
O
 N7
MG
O
6yxw 1 P01116 97.01 1e-111 X-RAY
 2020-07-08 ASN A:119 A:116 4.0 0.025 E -90.0 158.6 4.0 0.025 0.0 GDP
HOH
 3.127
6.767
 ND2
O
 N7
O
ASN C:119 C:116 4.0 0.025 E -95.8 162.6 NA NA NA
7ny8 1 P01116 97.01 1e-111 X-RAY
 2021-07-07 ASN A:119 A:116 4.0 0.025 E -85.6 167.1 4.0 0.025 0.0 GDP
HOH
 3.248
6.737
 ND2
N
 N7
O
ASN B:119 B:116 4.0 0.025 E -88.6 166.9 NA NA NA
4tq9 1 P01116 96.41 1e-111 X-RAY
 2015-06-10 ASN A:117 A:116 4.0 0.025 E -91.8 167.3 4.0 0.025 0.0 GDP
MG
HOH
 2.408
9.813
6.741
 HD21
HD22
O
 N7
MG
O
ASN B:117 B:116 4.0 0.025 E -94.7 168.1 NA NA NA
7q9u 1 P01116-2 97.01 1e-111 X-RAY
 2022-01-26 ASN A:116 AAA:116 4.0 0.025 E -97.2 166.1 4.0 0.025 0.0 GDP
HOH
 3.177
6.757
 ND2
O
 N7
O
ASN B:116 BBB:116 4.0 0.025 E -99.4 165.7 NA NA NA
6god 1 P01116 95.35 2e-111 X-RAY
 2019-02-06 ASN A:116 A:116 4.0 0.025 E -86.0 165.9 4.0 0.025 0.0 GNP
HOH
 3.182
6.743
 ND2
N
 N7
O
5ufe 1 P01116 97.59 2e-111 X-RAY
 2017-08-02 ASN A:116 A:116 4.0 0.025 E -87.0 163.7 4.0 0.025 0.0 GNP
CD
CL
HOH
 3.034
8.523
8.447
6.677
 ND2
C
OD1
O
 N7
CD
CL
O
5uk9 1 P01116 97.59 2e-111 X-RAY
 2018-01-10 ASN A:116 A:116 3.0 0.019 E -95.6 168.0 3.0 0.019 0.0 GDP
HOH
 3.063
6.671
 ND2
O
 N7
O
ASN B:116 B:116 4.0 0.025 E -96.7 167.0 NA NA NA
5wlb 1 P01116 96.99 2e-111 X-RAY
 2018-01-03 ASN A:116 A:116 4.0 0.025 E -96.2 166.9 4.0 0.025 0.0 GNP
HOH
 3.156
6.695
 ND2
O
 N7
O
ASN D:116 D:116 3.0 0.019 E -97.9 168.4 NA NA NA
5wpm 1 P01116 96.99 2e-111 X-RAY
 2018-01-03 ASN A:116 A:116 3.0 0.019 E -89.2 163.6 3.0 0.019 0.0 GNP
MG
HOH
 3.211
8.795
8.558
 ND2
N
ND2
 N7
MG
O
5uqw 1 P01116 95.86 2e-111 X-RAY
 2017-03-22 ASN A:136 A:116 4.0 0.025 E -96.9 171.7 4.0 0.025 0.0 GDP
HOH
 3.041
6.671
 ND2
O
 N7
O
ASN B:136 B:116 4.0 0.025 E -96.6 169.9 NA NA NA
6pts 2 P01116 97.01 3e-111 NMR
 2020-05-13 ASN C:116 B:116 6.0 0.037 E -78.1 163.6 6.0 0.037 0.0 GNP
 1.863
 HD22
 N7
6ptw 2 P01116 97.01 3e-111 NMR
 2020-05-13 ASN C:116 B:116 3.0 0.019 E -81.5 162.6 3.0 0.019 0.0 GNP
 1.916
 HD22
 N7
6yr8 1 P01116 97.59 3e-111 X-RAY
 2020-07-08 ASN A:119 A:116 4.0 0.025 E -97.2 166.5 4.0 0.025 0.0 GDP
HOH
 2.923
8.556
 ND2
ND2
 N7
O
5mla 1 P01116 96.99 3e-111 X-RAY
 2017-12-20 ASN A:119 A:116 4.0 0.025 E -83.8 161.4 4.0 0.025 0.0 GSP
SO4
HOH
 3.151
9.932
6.928
 ND2
O
O
 N7
O1
O
5mlb 1 P01116 96.99 3e-111 X-RAY
 2017-12-20 ASN A:119 A:116 4.0 0.025 E -83.0 166.5 4.0 0.025 0.0 GDP
HOH
 3.060
9.712
 ND2
N
 N7
O
ASN C:119 C:116 4.0 0.025 E -82.8 166.0 NA NA NA
ASN E:119 E:116 4.0 0.025 E -83.5 166.2 NA NA NA
ASN G:119 G:116 4.0 0.025 E -83.1 166.4 NA NA NA
5o2s 1 P01116 96.99 3e-111 X-RAY
 2017-07-26 ASN A:119 A:116 4.0 0.025 E -83.0 166.5 4.0 0.025 0.0 GDP
HOH
 3.060
9.712
 ND2
N
 N7
O
ASN C:119 C:116 4.0 0.025 E -82.8 166.0 NA NA NA
ASN E:119 E:116 4.0 0.025 E -83.5 166.2 NA NA NA
ASN G:119 G:116 4.0 0.025 E -83.1 166.4 NA NA NA
5o2t 1 P01116 96.99 3e-111 X-RAY
 2017-07-26 ASN A:119 A:116 4.0 0.025 E -83.8 161.4 4.0 0.025 0.0 GSP
SO4
HOH
 3.151
9.932
6.928
 ND2
O
O
 N7
O1
O
6h46 1 P01116 96.99 3e-111 X-RAY
 2019-04-24 ASN A:119 A:116 4.0 0.025 E -89.4 165.8 4.0 0.025 0.0 GDP
HOH
 3.092
6.910
 ND2
O
 N7
O
6h47 1 P01116 96.99 3e-111 X-RAY
 2019-04-24 ASN A:119 A:116 6.0 0.037 E -90.7 160.8 6.0 0.037 0.0 SO4
HOH
 6.791
3.350
 ND2
OD1
 O3
O
6mnx 1 P01116 95.86 3e-111 X-RAY
 2020-04-15 ASN A:116 A:116 4.0 0.025 E -100.0 163.8 4.0 0.025 0.0 GTP
MG
HOH
 2.476
9.672
6.607
 HD21
HD22
O
 N7
MG
O
ASN B:116 B:116 4.0 0.025 E -101.2 164.9 NA NA NA
ASN C:116 C:116 4.0 0.025 E -99.6 167.1 NA NA NA
ASN D:116 D:116 4.0 0.025 E -93.5 167.2 NA NA NA
ASN E:116 E:116 4.0 0.025 E -99.8 162.8 NA NA NA
ASN F:116 F:116 3.0 0.019 E -92.0 165.3 NA NA NA
6ws2 1 P01116 95.86 4e-111 X-RAY
 2021-11-10 ASN A:117 A:116 4.0 0.025 E -93.1 166.0 4.0 0.025 0.0 GDP
HOH
 3.194
6.637
 ND2
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -93.4 166.6 NA NA NA
ASN C:117 C:116 4.0 0.025 E -91.5 165.7 NA NA NA
ASN D:117 D:116 4.0 0.025 E -93.1 166.1 NA NA NA
6f76 1 P01116 95.86 4e-111 X-RAY
 2018-08-08 ASN A:120 B:116 3.0 0.019 E -94.2 166.9 3.0 0.019 0.0 GNP
HOH
 3.043
6.597
 ND2
O
 N7
O
ASN B:120 A:116 4.0 0.025 E -95.3 168.0 4.0 0.025 0.0 GNP
HOH
 3.056
6.614
 ND2
O
 N7
O
ASN C:120 C:116 5.0 0.031 E -94.7 167.5 5.0 0.031 0.0 GNP
HOH
 3.082
8.734
 ND2
ND2
 N7
O
ASN D:120 D:116 4.0 0.025 E -94.8 167.3 4.0 0.025 0.0 GNP
HOH
 3.039
8.573
 ND2
ND2
 N7
O
ASN E:120 E:116 4.0 0.025 E -94.8 166.9 4.0 0.025 0.0 GNP
HOH
 3.135
6.559
 ND2
O
 N7
O
ASN F:120 F:116 4.0 0.025 E -94.4 167.2 4.0 0.025 0.0 GNP
HOH
 3.033
6.613
 ND2
O
 N7
O
6fa1 1 P01116 95.86 4e-111 X-RAY
 2018-08-22 ASN A:120 B:116 3.0 0.019 E -92.2 167.9 3.0 0.019 0.0 GNP
HOH
 3.054
6.606
 ND2
O
 N7
O
6fa1 3 P01116 95.86 4e-111 X-RAY
 2018-08-22 ASN E:120 E:116 4.0 0.025 E -94.1 167.6 4.0 0.025 0.0 GNP
HOH
 3.058
6.644
 ND2
O
 N7
O
6fa4 1 P01116 95.86 4e-111 X-RAY
 2018-08-22 ASN A:120 B:116 3.0 0.019 E -92.8 166.2 3.0 0.019 0.0 GNP
HOH
 3.091
6.725
 ND2
O
 N7
O
6fa4 2 P01116 95.86 4e-111 X-RAY
 2018-08-22 ASN B:120 A:116 4.0 0.025 E -94.6 167.9 NA NA NA
ASN C:120 C:116 4.0 0.025 E -94.2 166.2 NA NA NA
ASN D:120 D:116 4.0 0.025 E -91.8 166.7 NA NA NA
ASN E:120 E:116 4.0 0.025 E -92.7 166.7 NA NA NA
ASN F:120 F:116 4.0 0.025 E -92.0 167.1 NA NA NA
6goe 1 P01116 95.83 4e-111 X-RAY
 2019-02-06 ASN A:117 A:116 3.0 0.019 E -91.1 165.0 3.0 0.019 0.0 GNP
HOH
 3.235
6.937
 ND2
O
 N7
O
6cc9 2 P01116 96.41 4e-111 NMR
 2018-09-05 ASN B:118 B:116 9.0 0.056 E -100.9 -179.1 9.0 0.056 0.0 GNP
 2.888
 OD1
 O6
6cch 2 P01116 96.41 4e-111 NMR
 2018-08-29 ASN B:118 B:116 3.0 0.019 E -93.6 171.9 3.0 0.019 0.0 GNP
 2.845
 OD1
 O6
6ccx 2 P01116 96.41 4e-111 NMR
 2018-09-05 ASN B:118 B:116 2.0 0.013 E -93.7 166.5 2.0 0.013 0.0 GNP
 2.775
 HD22
 O6
2msc 2 P01116 97.01 4e-111 NMR
 2015-06-03 ASN C:118 B:116 6.0 0.037 E -81.0 159.9 6.0 0.037 0.0 GDP
 2.945
 OD1
 O6
2msd 2 P01116 97.01 4e-111 NMR
 2015-06-03 ASN C:118 B:116 5.0 0.031 E -90.3 162.0 5.0 0.031 0.0 GNP
 3.014
 ND2
 O6
2mse 2 P01116 97.01 4e-111 NMR
 2015-06-03 ASN C:118 B:116 4.0 0.025 E -87.3 161.4 4.0 0.025 0.0 GNP
 3.106
 ND2
 O6
6bp1 1 P01116 95.86 4e-111 X-RAY
 2018-01-24 ASN A:116 A:116 4.0 0.025 E -84.1 163.5 4.0 0.025 0.0 GCP
HOH
 2.505
6.805
 HD21
O
 N7
O
3gft 1 P01116 95.86 5e-111 X-RAY
 2009-03-10 ASN A:134 A:116 3.0 0.019 E -99.3 167.8 3.0 0.019 0.0 GNP
HOH
 3.126
6.665
 ND2
O
 N7
O
ASN B:134 B:116 3.0 0.019 E -94.3 164.6 NA NA NA
ASN C:134 C:116 3.0 0.019 E -98.2 166.2 NA NA NA
ASN D:134 D:116 3.0 0.019 E -83.1 169.1 NA NA NA
ASN E:134 E:116 4.0 0.025 E -87.7 159.3 NA NA NA
ASN F:134 F:116 3.0 0.019 E -87.6 166.9 NA NA NA
5oco 1 P01116 95.86 5e-111 X-RAY
 2018-08-22 ASN A:134 B:116 4.0 0.025 E -94.8 166.6 4.0 0.025 0.0 GNP
HOH
 3.071
6.772
 ND2
O
 N7
O
ASN B:134 A:116 3.0 0.019 E -96.0 167.1 3.0 0.019 0.0 GNP
HOH
 3.079
6.660
 ND2
O
 N7
O
ASN C:134 C:116 4.0 0.025 E -94.0 166.4 4.0 0.025 0.0 GNP
MG
HOH
 3.064
9.977
6.649
 ND2
ND2
O
 N7
MG
O
ASN D:134 D:116 4.0 0.025 E -92.5 166.3 4.0 0.025 0.0 GNP
HOH
 3.024
6.752
 ND2
O
 N7
O
ASN E:134 E:116 4.0 0.025 E -93.0 165.5 4.0 0.025 0.0 GNP
HOH
 3.071
5.785
 ND2
O
 N7
O
ASN F:134 F:116 4.0 0.025 E -91.6 166.8 4.0 0.025 0.0 GNP
HOH
 3.041
5.552
 ND2
O
 N7
O
5oct 1 P01116 95.86 5e-111 X-RAY
 2018-08-22 ASN A:134 A:116 3.0 0.019 E -91.6 169.5 3.0 0.019 0.0 GNP
PEG
HOH
 3.051
9.211
6.587
 ND2
N
O
 N7
C3
O
ASN B:134 B:116 3.0 0.019 E -91.8 169.5 3.0 0.019 0.0 GNP
HOH
 3.084
6.587
 ND2
O
 N7
O
ASN C:134 C:116 4.0 0.025 E -92.1 168.2 4.0 0.025 0.0 GNP
MG
HOH
 3.056
9.936
7.697
 ND2
ND2
ND2
 N7
MG
O
ASN D:134 D:116 4.0 0.025 E -92.4 168.0 4.0 0.025 0.0 GNP
MG
HOH
 3.094
9.986
6.598
 ND2
ND2
O
 N7
MG
O
ASN E:134 E:116 4.0 0.025 E -91.8 168.8 4.0 0.025 0.0 GNP
HOH
 3.085
6.396
 ND2
O
 N7
O
ASN F:134 F:116 4.0 0.025 E -91.9 168.8 4.0 0.025 0.0 GNP
HOH
 3.095
6.770
 ND2
O
 N7
O
6fa2 1 P01116 96.41 5e-111 X-RAY
 2018-09-05 ASN A:116 A:116 4.0 0.025 E -88.7 166.5 4.0 0.025 0.0 GNP
HOH
 2.873
8.389
 ND2
ND2
 N7
O
6asa 1 P01116 96.41 5e-111 X-RAY
 2018-01-24 ASN A:116 A:116 4.0 0.025 E -77.7 172.4 4.0 0.025 0.0 GDP
HOH
 3.294
9.970
 ND2
ND2
 N7
O
6xgu 1 P01116 95.86 5e-111 X-RAY
 2021-01-13 ASN A:117 A:116 4.0 0.025 E -96.3 176.1 4.0 0.025 0.0 GNP
MG
HOH
 3.054
9.975
9.978
 ND2
ND2
ND2
 N7
MG
O
7lc2 1 P01116 95.86 5e-111 X-RAY
 2021-07-28 ASN A:117 A:116 4.0 0.025 E -95.6 171.0 4.0 0.025 0.0 GNP
 3.070
 ND2
 N7
ASN B:117 B:116 3.0 0.019 E -97.8 166.2 NA NA NA
6p0z 1 P01116 96.43 5e-111 X-RAY
 2019-07-31 ASN A:115 A:116 4.0 0.025 E -97.1 170.8 4.0 0.025 0.0 MG
GDP
HOH
 9.840
2.365
6.789
 HD22
HD21
O
 MG
N7
O
ASN B:115 B:116 4.0 0.025 E -93.9 170.6 NA NA NA
6gog 1 P01116 95.86 6e-111 X-RAY
 2019-02-06 ASN A:120 A:116 3.0 0.019 E -94.8 168.7 3.0 0.019 0.0 GNP
HOH
 3.172
6.644
 ND2
O
 N7
O
ASN B:120 B:116 3.0 0.019 E -93.4 166.6 3.0 0.019 0.0 GNP
HOH
 3.029
6.633
 ND2
O
 N7
O
ASN C:120 C:116 3.0 0.019 E -94.0 165.9 3.0 0.019 0.0 GNP
HOH
 3.119
6.595
 ND2
O
 N7
O
ASN D:120 D:116 4.0 0.025 E -92.6 167.3 4.0 0.025 0.0 GNP
HOH
 3.064
6.759
 ND2
O
 N7
O
ASN E:120 E:116 4.0 0.025 E -92.3 166.1 4.0 0.025 0.0 GNP
HOH
 3.157
6.575
 ND2
O
 N7
O
ASN F:120 F:116 4.0 0.025 E -92.5 167.4 4.0 0.025 0.0 GNP
HOH
 3.075
6.655
 ND2
O
 N7
O
5vq2 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -94.6 167.1 4.0 0.025 0.0 GTP
HOH
 3.175
7.676
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -93.2 168.0 NA NA NA
5vq6 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -94.0 170.3 4.0 0.025 0.0 GSP
HOH
 3.157
6.540
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -97.6 167.5 NA NA NA
5vq8 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -90.5 167.5 4.0 0.025 0.0 GDP
HOH
 3.141
8.436
 ND2
ND2
 N7
O
ASN B:117 B:116 4.0 0.025 E -91.8 168.3 NA NA NA
5w22 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -94.5 171.6 4.0 0.025 0.0 GDP
HOH
 3.065
6.695
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -95.5 171.7 NA NA NA
6ase 1 P01116 95.86 6e-111 X-RAY
 2018-01-24 ASN A:117 A:116 4.0 0.025 E -91.0 163.3 4.0 0.025 0.0 GDP
HOH
 3.208
6.665
 ND2
O
 N7
O
5wha 1 P01116 96.99 7e-111 X-RAY
 2018-01-03 ASN A:120 A:116 3.0 0.019 E -82.8 171.4 3.0 0.019 0.0 GDP
HOH
 3.144
7.079
 ND2
O
 N7
O
ASN D:120 D:116 2.0 0.013 E -93.8 170.1 NA NA NA
ASN G:120 G:116 2.0 0.013 E -87.7 169.9 NA NA NA
ASN J:120 J:116 3.0 0.019 E -80.3 166.6 NA NA NA
5whb 1 P01116 96.99 7e-111 X-RAY
 2018-01-03 ASN A:120 A:116 4.0 0.025 E -89.1 169.2 4.0 0.025 0.0 GDP
HOH
 3.013
7.908
 OD1
ND2
 O6
O
ASN D:120 D:116 3.0 0.019 E -99.1 174.2 NA NA NA
ASN G:120 G:116 1.0 0.006 E -91.4 166.3 NA NA NA
ASN J:120 J:116 4.0 0.025 E -82.3 168.4 NA NA NA
7lc1 1 P01116 95.86 7e-111 X-RAY
 2021-08-04 ASN A:117 A:116 4.0 0.025 E -90.4 170.7 4.0 0.025 0.0 GNP
HOH
 2.994
6.710
 ND2
O
 N7
O
ASN C:117 C:116 4.0 0.025 E -94.2 170.1 NA NA NA
4epx 1 P01116 95.27 7e-111 X-RAY
 2012-05-23 ASN A:117 A:116 4.0 0.025 E -93.6 167.1 4.0 0.025 0.0 GDP
HOH
 3.088
6.596
 ND2
O
 N7
O
4epy 1 P01116 95.27 7e-111 X-RAY
 2012-05-23 ASN A:117 A:116 4.0 0.025 E -90.3 167.9 4.0 0.025 0.0 GDP
HOH
 2.999
6.694
 ND2
N
 N7
O
6xha 1 P01116-2 95.27 7e-111 X-RAY
 2021-01-13 ASN A:117 A:116 3.0 0.019 E -98.6 174.0 3.0 0.019 0.0 GNP
HOH
 3.195
9.965
 ND2
ND2
 N7
O
4ept 1 P01116 95.86 7e-111 X-RAY
 2012-05-23 ASN A:117 A:116 5.0 0.031 E -94.7 161.3 5.0 0.031 0.0 GDP
HOH
 3.118
6.532
 ND2
O
 N7
O
4epv 1 P01116 95.86 7e-111 X-RAY
 2012-05-23 ASN A:117 A:116 5.0 0.031 E -92.1 169.3 5.0 0.031 0.0 GDP
HOH
 3.105
6.630
 ND2
O
 N7
O
4epw 1 P01116 95.86 7e-111 X-RAY
 2012-05-23 ASN A:117 A:116 3.0 0.019 E -100.6 168.9 3.0 0.019 0.0 GDP
HOH
 3.039
6.677
 ND2
O
 N7
O
6xi7 1 P79800 95.86 7e-111 X-RAY
 2021-01-13 ASN A:117 A:116 4.0 0.025 E -97.4 173.2 4.0 0.025 0.0 GNP
SO4
HOH
 3.202
8.520
6.674
 ND2
O
O
 N7
O3
O
6fa2 2 P01116 96.41 8e-111 X-RAY
 2018-09-05 ASN B:119 B:116 4.0 0.025 E -88.0 165.4 NA NA NA
ASN D:119 D:116 5.0 0.031 E -88.7 165.7 NA NA NA
ASN E:119 E:116 4.0 0.025 E -88.3 165.4 NA NA NA
ASN F:119 F:116 4.0 0.025 E -87.1 165.2 NA NA NA
6gqx 2 P01116 96.41 8e-111 X-RAY
 2019-02-06 ASN B:119 B:116 3.0 0.019 E -95.3 167.0 NA NA NA
6fa1 2 P01116 96.41 8e-111 X-RAY
 2018-08-22 ASN B:120 A:116 3.0 0.019 E -94.1 169.6 3.0 0.019 0.0 GNP
HOH
 2.992
6.726
 ND2
O
 N7
O
ASN C:120 C:116 4.0 0.025 E -93.5 167.3 4.0 0.025 0.0 GNP
HOH
 3.037
6.637
 ND2
O
 N7
O
ASN D:120 D:116 4.0 0.025 E -93.3 168.2 4.0 0.025 0.0 GNP
MG
HOH
 3.122
9.936
6.751
 ND2
ND2
O
 N7
MG
O
ASN F:120 F:116 4.0 0.025 E -91.9 167.8 4.0 0.025 0.0 MG
GNP
HOH
 9.885
3.072
6.558
 ND2
ND2
O
 MG
N7
O
6fa3 1 P01116 96.41 8e-111 X-RAY
 2018-08-22 ASN A:120 B:116 3.0 0.019 E -95.1 167.2 3.0 0.019 0.0 GNP
HOH
 3.071
6.695
 ND2
O
 N7
O
ASN C:120 C:116 4.0 0.025 E -95.2 165.8 NA NA NA
ASN D:120 D:116 4.0 0.025 E -94.8 166.7 NA NA NA
ASN E:120 E:116 4.0 0.025 E -95.6 166.4 NA NA NA
ASN F:120 F:116 4.0 0.025 E -93.8 166.5 NA NA NA
6fa3 2 P01116 96.41 8e-111 X-RAY
 2018-08-22 ASN B:120 A:116 3.0 0.019 E -95.8 167.5 NA NA NA
6gom 1 P01116 96.41 8e-111 X-RAY
 2019-02-06 ASN A:120 A:116 3.0 0.019 E -94.9 169.1 3.0 0.019 0.0 GNP
HOH
 3.163
6.750
 ND2
O
 N7
O
ASN B:120 B:116 4.0 0.025 E -93.4 167.5 NA NA NA
ASN C:120 C:116 4.0 0.025 E -94.2 167.3 NA NA NA
ASN D:120 D:116 4.0 0.025 E -93.0 167.1 NA NA NA
ASN E:120 E:116 4.0 0.025 E -93.5 167.2 NA NA NA
ASN F:120 F:116 4.0 0.025 E -92.9 167.5 NA NA NA
6gqt 1 P01116 96.41 9e-111 X-RAY
 2019-02-06 ASN A:119 A:116 4.0 0.025 E -93.7 168.8 4.0 0.025 0.0 GNP
HOH
 3.081
6.776
 ND2
O
 N7
O
ASN B:119 B:116 4.0 0.025 E -93.9 167.2 NA NA NA
ASN C:119 C:116 4.0 0.025 E -94.0 166.6 NA NA NA
ASN D:119 D:116 4.0 0.025 E -92.2 166.3 NA NA NA
ASN E:119 E:116 4.0 0.025 E -93.5 166.4 NA NA NA
ASN F:119 F:116 4.0 0.025 E -91.7 167.5 NA NA NA
7c40 1 P01116 98.17 9e-111 X-RAY
 2021-05-19 ASN A:116 A:116 4.0 0.025 E -89.3 167.2 4.0 0.025 0.0 GDP
HOH
 3.001
6.930
 ND2
O
 N7
O
7c41 1 P01116 98.17 9e-111 X-RAY
 2021-05-19 ASN A:116 A:116 4.0 0.025 E -84.4 167.2 4.0 0.025 0.0 GDP
HOH
 3.208
6.878
 OD1
ND2
 O6
O
ASN C:116 J:116 2.0 0.013 E -89.0 166.7 NA NA NA
ASN D:116 M:116 3.0 0.019 E -95.3 167.8 NA NA NA
ASN E:116 G:116 6.0 0.037 E -92.5 167.5 NA NA NA
6m9w 1 P01116 96.43 1e-110 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -90.3 168.2 4.0 0.025 0.0 GDP
HOH
 2.427
5.977
 HD21
HD21
 N7
O
4wa7 1 P01116 95.86 1e-110 X-RAY
 2015-06-10 ASN A:117 A:116 3.0 0.019 E -96.0 165.6 3.0 0.019 0.0 GDP
MG
HOH
 2.394
9.622
6.579
 HD21
HD22
O
 N7
MG
O
6v6f 3 P01116 95.86 1e-110 X-RAY
 2020-07-15 ASN C:117 C:116 3.0 0.019 E -88.9 172.1 3.0 0.019 0.0 GNP
HOH
 3.143
7.611
 ND2
O
 N7
O
6fa2 3 P01116 96.41 1e-110 X-RAY
 2018-09-05 ASN C:120 C:116 5.0 0.031 E -87.9 165.4 NA NA NA
6gqw 1 P01116 96.41 1e-110 X-RAY
 2019-02-06 ASN A:120 A:116 3.0 0.019 E -89.8 169.9 3.0 0.019 0.0 GNP
HOH
 3.039
7.805
 ND2
ND2
 N7
O
ASN B:120 B:116 3.0 0.019 E -89.4 170.2 NA NA NA
ASN C:120 C:116 4.0 0.025 E -90.0 169.6 NA NA NA
ASN D:120 D:116 4.0 0.025 E -90.1 170.2 NA NA NA
ASN F:120 F:116 4.0 0.025 E -90.0 170.1 NA NA NA
6gqx 1 P01116 96.41 1e-110 X-RAY
 2019-02-06 ASN A:120 A:116 3.0 0.019 E -96.6 167.2 3.0 0.019 0.0 GNP
HOH
 3.043
6.608
 ND2
O
 N7
O
ASN C:120 C:116 4.0 0.025 E -96.2 166.7 NA NA NA
ASN D:120 D:116 4.0 0.025 E -95.7 167.7 NA NA NA
ASN E:120 E:116 4.0 0.025 E -95.4 166.2 NA NA NA
ASN F:120 F:116 4.0 0.025 E -95.4 168.1 NA NA NA
6gqy 1 P01116 96.41 1e-110 X-RAY
 2019-02-06 ASN A:120 A:116 4.0 0.025 E -93.5 167.8 4.0 0.025 0.0 GNP
HOH
 2.980
8.501
 ND2
ND2
 N7
O
ASN B:120 B:116 3.0 0.019 E -92.0 168.8 NA NA NA
ASN C:120 C:116 4.0 0.025 E -92.1 168.1 NA NA NA
ASN D:120 D:116 4.0 0.025 E -92.4 168.7 NA NA NA
ASN E:120 E:116 4.0 0.025 E -92.4 168.4 NA NA NA
ASN F:120 F:116 4.0 0.025 E -92.7 168.9 NA NA NA
6mta 1 P01116 95.86 1e-110 X-RAY
 2020-04-15 ASN A:116 A:116 4.0 0.025 E -91.4 169.1 4.0 0.025 0.0 GNP
HOH
 3.062
6.721
 ND2
O
 N7
O
ASN B:116 B:116 3.0 0.019 E -92.9 166.3 NA NA NA
ASN C:116 C:116 4.0 0.025 E -90.5 168.7 NA NA NA
6bof 1 P01116 95.83 3e-110 X-RAY
 2019-05-22 ASN A:115 A:116 2.0 0.013 E -87.2 168.8 2.0 0.013 0.0 GDP
HOH
 2.472
6.662
 HD21
O
 N7
O
ASN B:115 B:116 3.0 0.019 E -88.3 168.7 NA NA NA
6o36 1 P01116 96.41 3e-110 X-RAY
 2020-02-26 ASN A:116 A:116 3.0 0.019 E -91.5 166.3 3.0 0.019 0.0 GNP
HOH
 3.138
6.704
 ND2
O
 N7
O
ASN B:116 B:116 4.0 0.025 E -91.2 167.5 NA NA NA
ASN C:116 C:116 3.0 0.019 E -94.3 166.5 NA NA NA
6mbq 1 P01116 97.58 3e-110 X-RAY
 2019-07-31 ASN A:117 A:116 4.0 0.025 E -95.0 170.4 4.0 0.025 0.0 EDO
GNP
HOH
 9.365
2.394
6.734
 OD1
HD21
N
 H12
N7
O
5tar 1 P01116 96.99 5e-110 X-RAY
 2016-11-02 ASN A:116 A:116 4.0 0.025 E -94.3 167.3 4.0 0.025 0.0 GDP
HOH
 3.188
6.715
 ND2
O
 N7
O
5tb5 1 P01116 96.99 5e-110 X-RAY
 2016-11-02 ASN A:116 A:116 4.0 0.025 E -93.6 168.7 4.0 0.025 0.0 GDP
HOH
 3.075
6.761
 ND2
O
 N7
O
ASN C:116 C:116 4.0 0.025 E -91.2 166.4 NA NA NA
6o46 1 P01116 96.41 5e-110 X-RAY
 2020-03-11 ASN A:117 A:116 4.0 0.025 E -96.1 168.4 4.0 0.025 0.0 GNP
HOH
 3.134
6.660
 ND2
O
 N7
O
ASN B:117 B:116 3.0 0.019 E -92.8 166.7 NA NA NA
ASN C:117 C:116 4.0 0.025 E -100.4 167.7 NA NA NA
5vq1 1 P01116 95.27 5e-110 X-RAY
 2017-12-06 ASN A:117 A:116 4.0 0.025 E -94.9 167.4 4.0 0.025 0.0 GDP
HOH
 3.067
6.469
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -93.3 166.9 NA NA NA
6gqw 2 P01116 95.81 6e-110 X-RAY
 2019-02-06 ASN E:120 E:116 4.0 0.025 E -89.9 169.8 NA NA NA
7kmr 1 P01116 96.41 8e-110 X-RAY
 2021-11-10 ASN A:141 A:116 4.0 0.025 E -91.0 169.0 4.0 0.025 0.0 GDP
HOH
 3.196
6.663
 ND2
O
 N7
O
5whd 1 P01116 96.39 1e-109 X-RAY
 2018-01-03 ASN A:120 A:116 4.0 0.025 E -88.4 167.5 4.0 0.025 0.0 GDP
HOH
 3.062
6.754
 ND2
O
 N7
O
ASN B:120 B:116 4.0 0.025 E -97.0 168.7 NA NA NA
ASN C:120 C:116 3.0 0.019 E -94.2 166.6 NA NA NA
ASN D:120 D:116 4.0 0.025 E -93.0 163.0 NA NA NA
5whe 1 P01116 96.39 1e-109 X-RAY
 2018-01-03 ASN A:120 A:116 3.0 0.019 E -89.5 169.6 3.0 0.019 0.0 GNP
HOH
 3.261
6.972
 ND2
O
 N7
O
ASN B:120 D:116 4.0 0.025 E -89.4 168.4 NA NA NA
ASN C:120 G:116 4.0 0.025 E -98.1 166.8 NA NA NA
ASN D:120 J:116 4.0 0.025 E -93.0 166.0 NA NA NA
4q01 1 P01116 94.67 1e-109 X-RAY
 2014-09-10 ASN A:116 A:116 4.0 0.025 E -99.8 167.7 4.0 0.025 0.0 GDP
MG
HOH
 2.320
9.870
6.149
 HD21
HD22
HA
 N7
MG
O
ASN B:116 B:116 4.0 0.025 E -92.8 169.0 NA NA NA
1ioz 1 P01112 92.4 2e-109 X-RAY
 2001-10-03 ASN A:116 A:116 4.0 0.025 E -87.2 165.8 4.0 0.025 0.0 GDP
HOH
 3.177
7.577
 ND2
O
 N7
O
1q21 1 P01112 92.4 2e-109 X-RAY
 1992-07-15 ASN A:116 A:116 4.0 0.025 E -95.9 167.4 4.0 0.025 0.0 GDP
HOH
 3.002
7.822
 ND2
O
 N7
O
6q21 1 P01112 92.4 2e-109 X-RAY
 1992-07-28 ASN A:116 A:116 4.0 0.025 E -74.9 163.5 4.0 0.025 0.0 GCP
HOH
 2.963
2.753
 ND2
CB
 N7
O
ASN B:116 B:116 3.0 0.019 E -89.3 159.5 3.0 0.019 0.0 GCP
HOH
 3.084
6.614
 OD1
N
 N7
O
ASN C:116 C:116 3.0 0.019 E -86.4 167.8 3.0 0.019 0.0 GCP
HOH
 3.212
6.413
 ND2
ND2
 N7
O
ASN D:116 D:116 4.0 0.025 E -80.6 151.6 4.0 0.025 0.0 GCP
HOH
 3.184
4.964
 OD1
OD1
 O6
O
2q21 1 P01112 91.81 2e-109 X-RAY
 1992-07-15 ASN A:116 A:116 3.0 0.019 E -96.5 164.5 3.0 0.019 0.0 GDP
HOH
 2.995
6.932
 OD1
OD1
 N7
O
4pzz 1 P01116 94.67 2e-109 X-RAY
 2014-09-10 ASN A:117 A:116 5.0 0.031 E -96.3 164.6 5.0 0.031 0.0 GDP
MG
HOH
 2.280
9.587
6.471
 HD22
HD21
HA
 N7
MG
O
4q02 1 P01116 94.67 2e-109 X-RAY
 2014-09-10 ASN A:117 A:116 5.0 0.031 E -96.0 169.2 5.0 0.031 0.0 GDP
HOH
 3.095
6.644
 ND2
N
 N7
O
4q03 1 P01116 94.67 2e-109 X-RAY
 2014-09-10 ASN A:117 A:116 5.0 0.031 E -93.8 166.6 5.0 0.031 0.0 GDP
MG
HOH
 2.429
9.811
6.369
 HD22
HD21
HA
 N7
MG
O
3con 1 P01111 92.44 3e-109 X-RAY
 2008-04-08 ASN A:134 A:116 4.0 0.025 E -94.3 167.2 4.0 0.025 0.0 GDP
UNX
HOH
 3.034
9.002
6.760
 ND2
N
O
 N7
UNK
O
4pzy 1 P01116 94.67 4e-109 X-RAY
 2014-09-10 ASN A:117 A:116 4.0 0.025 E -92.5 169.6 4.0 0.025 0.0 GDP
HOH
 3.019
6.763
 ND2
O
 N7
O
ASN B:117 B:116 5.0 0.031 E -93.2 164.2 5.0 0.031 0.0 GDP
HOH
 3.223
7.286
 ND2
ND2
 N7
O
6zio 1 P01111 91.86 3e-108 X-RAY
 2020-08-19 ASN A:117 A:116 4.0 0.025 E -86.3 166.3 4.0 0.025 0.0 GDP
HOH
 3.129
6.803
 ND2
O
 N7
O
ASN B:117 B:116 4.0 0.025 E -83.8 162.7 4.0 0.025 0.0 MG
GDP
HOH
 8.534
3.134
6.694
 ND2
ND2
O
 MG
N7
O
6zir 1 P01111 91.86 3e-108 X-RAY
 2020-08-19 ASN A:117 A:116 4.0 0.025 E -84.7 165.8 4.0 0.025 0.0 GDP
HOH
 3.158
6.721
 ND2
O
 N7
O
6amb 1 P01112 93.45 4e-108 X-RAY
 2017-11-01 ASN A:118 A:116 5.0 0.031 E -100.2 171.2 5.0 0.031 0.0 GNP
HOH
 2.929
8.809
 ND2
ND2
 N7
O
5wpl 1 P01112 93.98 5e-108 X-RAY
 2018-01-03 ASN A:116 A:116 4.0 0.025 E -93.9 175.1 4.0 0.025 0.0 GNP
HOH
 3.120
6.676
 ND2
O
 N7
O
ASN D:116 D:116 4.0 0.025 E -90.7 172.2 NA NA NA
ASN G:116 G:116 4.0 0.025 E -92.7 163.6 NA NA NA
ASN J:116 J:116 4.0 0.025 E -101.0 164.6 NA NA NA
6pq3 1 P01116 90.5 1e-107 X-RAY
 2020-05-20 ASN A:127 A:126 4.0 0.025 E -93.8 168.7 4.0 0.025 0.0 GDP
HOH
 3.061
6.575
 ND2
O
 N7
O
6ziz 1 P01111 91.28 1e-107 X-RAY
 2020-08-19 ASN A:117 A:116 3.0 0.019 E -90.7 162.2 3.0 0.019 0.0 GTP
MG
HOH
 2.259
9.591
5.929
 HD21
HD22
N
 N7
MG
O
ASN B:117 B:116 4.0 0.025 E -90.8 162.1 NA NA NA
7l0f 1 P01112 93.98 3e-107 X-RAY
 2021-03-24 ASN A:117 E:116 4.0 0.025 E -95.1 164.7 4.0 0.025 0.0 GSP
HOH
 3.081
6.867
 ND2
O
 N7
O
ASN C:117 A:116 4.0 0.025 E -95.3 163.8 NA NA NA
ASN E:117 G:116 4.0 0.025 E -95.7 163.3 NA NA NA
ASN G:117 L:116 4.0 0.025 E -94.9 164.2 NA NA NA
6axg 2 P01112 93.98 3e-107 X-RAY
 2017-10-11 ASN B:120 B:116 3.0 0.019 E -141.0 159.6 3.0 0.019 0.0
ASN D:120 D:116 4.0 0.025 E -140.1 169.1 NA NA NA
ASN F:120 F:116 2.0 0.013 E -139.4 162.1 NA NA NA
ASN H:120 H:116 35.0 0.219 -142.4 360.0 NA NA NA
ASN J:120 J:116 1.0 0.006 E -140.9 171.8 NA NA NA
ASN L:120 L:116 4.0 0.025 E -142.1 175.0 NA NA NA
5e95 2 P01112 93.98 3e-107 X-RAY
 2016-11-02 ASN B:118 A:116 4.0 0.025 E -93.7 167.6 4.0 0.025 0.0 GDP
HOH
 3.112
6.758
 ND2
O
 N7
O
5vbm 1 P01116 94.08 3e-107 X-RAY
 2017-10-25 ASN A:117 A:116 4.0 0.025 E -97.2 167.1 4.0 0.025 0.0 MG
GDP
HOH
 9.770
2.454
6.585
 HD22
HD21
O
 MG
N7
O
5x9s 1 P01112 87.03 4e-107 X-RAY
 2017-08-30 ASN A:122 A:116 4.0 0.025 E -86.9 163.7 4.0 0.025 0.0 GNP
HOH
 3.120
6.441
 ND2
O
 N7
O
1he8 2 P23175 93.37 4e-107 X-RAY
 2001-01-08 ASN B:116 B:116 3.0 0.019 E -119.6 172.8 3.0 0.019 0.0 GNP
HOH
 3.041
8.797
 OD1
ND2
 O6
O
1rvd 1 P01112 93.37 4e-107 X-RAY
 1999-05-28 ASN A:116 A:116 4.0 0.025 E -86.8 166.2 4.0 0.025 0.0 DBG
HOH
 3.186
6.681
 ND2
O
 N7
O
2uzi 3 P01112 93.37 4e-107 X-RAY
 2007-06-26 ASN C:116 R:116 4.0 0.025 E -88.2 166.8 4.0 0.025 0.0 GTP
HOH
 3.195
6.701
 ND2
O
 N7
O
2vh5 3 P01112 93.37 4e-107 X-RAY
 2008-01-22 ASN C:116 R:116 4.0 0.025 E -87.5 165.8 4.0 0.025 0.0 GTP
HOH
 3.140
6.504
 ND2
O
 N7
O
3oiv 1 P01112 93.37 4e-107 X-RAY
 2010-12-08 ASN A:116 A:116 4.0 0.025 E -95.6 171.8 4.0 0.025 0.0 GNP
HOH
 3.073
6.681
 ND2
O
 N7
O
3oiw 1 P01112 93.37 4e-107 X-RAY
 2010-12-08 ASN A:116 A:116 3.0 0.019 E -93.7 169.2 3.0 0.019 0.0 GNP
HOH
 3.151
6.597
 ND2
O
 N7
O
121p 1 P01112 93.98 4e-107 X-RAY
 1994-01-31 ASN A:116 A:116 3.0 0.019 E -87.2 169.2 3.0 0.019 0.0 GCP
HOH
 3.153
6.729
 ND2
O
 N7
O
1bkd 1 P01112 93.98 4e-107 X-RAY
 1999-01-13 ASN A:116 R:116 6.0 0.037 E -91.8 139.6 6.0 0.037 0.0 HOH
 7.125
 ND2
 O
1ctq 1 P01112 93.98 4e-107 X-RAY
 1999-11-15 ASN A:116 A:116 3.0 0.019 E -98.5 169.0 3.0 0.019 0.0 GNP
HOH
 3.120
6.648
 ND2
O
 N7
O
1gnp 1 P01112 93.98 4e-107 X-RAY
 1995-07-31 ASN A:116 A:116 3.0 0.019 E -82.4 160.3 3.0 0.019 0.0 AGN
 3.323
 OD1
 O6
1gnq 1 P01112 93.98 4e-107 X-RAY
 1995-07-31 ASN A:116 A:116 3.0 0.019 E -92.6 171.9 3.0 0.019 0.0 CAG
HOH
 3.195
9.884
 OD1
ND2
 O6
O
1gnr 1 P01112 93.98 4e-107 X-RAY
 1995-07-31 ASN A:116 A:116 3.0 0.019 E -91.8 166.3 3.0 0.019 0.0 CAG
HOH
 3.361
7.031
 OD1
O
 N7
O
1k8r 1 P01112 93.98 4e-107 X-RAY
 2002-03-13 ASN A:116 A:116 4.0 0.025 E -89.2 170.7 4.0 0.025 0.0 GNP
 3.262
 OD1
 O6
1nvv 2 P01112 93.98 4e-107 X-RAY
 2003-04-01 ASN B:116 R:116 3.0 0.019 E -110.0 134.7 3.0 0.019 0.0 PO4
HOH
 7.458
3.240
 ND2
O
 O4
O
1nvw 1 P01112 93.98 4e-107 X-RAY
 2003-04-01 ASN A:116 Q:116 3.0 0.019 E -91.5 171.0 3.0 0.019 0.0 GNP
HOH
 3.106
6.482
 ND2
O
 N7
O
ASN B:116 R:116 4.0 0.025 E -103.2 143.9 4.0 0.025 0.0 PO4
HOH
 7.317
7.056
 ND2
ND2
 O4
O
1p2s 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 ASN A:116 A:116 3.0 0.019 E -94.3 170.6 3.0 0.019 0.0 MG
GNP
HOH
 9.981
3.133
7.046
 ND2
ND2
O
 MG
N7
O
1p2t 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 ASN A:116 A:116 4.0 0.025 E -94.0 165.2 4.0 0.025 0.0 GNP
HOH
 3.168
6.701
 ND2
O
 N7
O
1p2u 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 ASN A:116 A:116 4.0 0.025 E -92.7 165.6 4.0 0.025 0.0 GNP
HOH
 3.174
6.841
 ND2
O
 N7
O
1p2v 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 ASN A:116 A:116 3.0 0.019 E -91.2 173.3 3.0 0.019 0.0 GNP
HOH
 3.177
6.912
 ND2
O
 N7
O
1qra 1 P01112 93.98 4e-107 X-RAY
 1999-11-05 ASN A:116 A:116 3.0 0.019 E -94.6 168.4 3.0 0.019 0.0 GTP
HOH
 3.161
6.841
 ND2
O
 N7
O
1wq1 1 P01112 93.98 4e-107 X-RAY
 1998-07-15 ASN A:116 R:116 4.0 0.025 E -99.2 151.3 4.0 0.025 0.0 GDP
HOH
 3.011
9.589
 ND2
ND2
 N7
O
1xd2 2 P01112 93.98 4e-107 X-RAY
 2004-11-02 ASN B:116 B:116 3.0 0.019 E -107.9 143.2 3.0 0.019 0.0 PO4
 7.448
 ND2
 O4
2rge 1 P01112 93.98 4e-107 X-RAY
 2007-12-18 ASN A:116 A:116 3.0 0.019 E -90.7 169.4 3.0 0.019 0.0 GNP
HOH
 3.108
6.744
 ND2
O
 N7
O
3k8y 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 ASN A:116 A:116 4.0 0.025 E -93.4 168.9 4.0 0.025 0.0 GNP
HOH
 3.151
6.692
 ND2
O
 N7
O
3kud 1 P01112 93.98 4e-107 X-RAY
 2010-03-23 ASN A:116 A:116 5.0 0.031 E -98.8 168.5 5.0 0.031 0.0 GDP
HOH
 3.221
8.542
 ND2
O
 N7
O
3l8y 1 P01112 93.98 4e-107 X-RAY
 2011-01-05 ASN A:116 A:116 3.0 0.019 E -92.4 167.6 3.0 0.019 0.0 GNP
HOH
 3.041
6.590
 ND2
O
 N7
O
3l8z 1 P01112 93.98 4e-107 X-RAY
 2011-01-05 ASN A:116 A:116 3.0 0.019 E -91.6 169.1 3.0 0.019 0.0 GNP
MG
HOH
 3.088
9.989
6.598
 ND2
ND2
O
 N7
MG
O
3lbh 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 ASN A:116 A:116 3.0 0.019 E -91.2 173.2 3.0 0.019 0.0 GNP
HOH
 3.192
6.702
 ND2
O
 N7
O
3lbi 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 ASN A:116 A:116 3.0 0.019 E -93.2 170.6 3.0 0.019 0.0 GNP
HOH
 3.136
6.834
 ND2
O
 N7
O
3lbn 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 ASN A:116 A:116 4.0 0.025 E -93.3 168.8 4.0 0.025 0.0 GNP
MG
HOH
 3.151
9.982
6.645
 ND2
ND2
O
 N7
MG
O
3rry 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 3.0 0.019 E -94.4 170.6 3.0 0.019 0.0 GNP
HOH
 3.086
6.801
 ND2
O
 N7
O
3rrz 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 3.0 0.019 E -92.9 171.7 3.0 0.019 0.0 GNP
GOL
HOH
 3.155
7.396
6.764
 ND2
ND2
O
 N7
O1
O
3rs0 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -92.7 170.4 4.0 0.025 0.0 GNP
HOH
 3.138
6.645
 ND2
O
 N7
O
3rs2 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -92.9 170.2 4.0 0.025 0.0 GNP
HOH
 3.033
6.881
 ND2
O
 N7
O
3rs3 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -95.5 172.1 4.0 0.025 0.0 GNP
HOH
 3.085
6.692
 ND2
O
 N7
O
3rs4 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -94.4 171.8 4.0 0.025 0.0 GNP
HOH
 3.098
6.855
 ND2
O
 N7
O
3rs5 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -91.4 169.7 4.0 0.025 0.0 GNP
HOH
 3.123
6.806
 ND2
O
 N7
O
3rs7 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -94.4 171.9 4.0 0.025 0.0 GNP
HOH
 3.124
6.783
 ND2
O
 N7
O
3rsl 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -91.5 168.3 4.0 0.025 0.0 GNP
RSF
RSF
RSF
HOH
 3.112
9.317
9.353
9.248
6.916
 ND2
ND2
ND2
OD1
O
 N7
C1
C6
C3
O
3rso 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 ASN A:116 A:116 4.0 0.025 E -97.0 170.2 4.0 0.025 0.0 GNP
RSG
HOH
 3.118
8.570
6.666
 ND2
ND2
O
 N7
O2
O
3tgp 1 P01112 93.98 4e-107 X-RAY
 2011-10-12 ASN A:116 A:116 4.0 0.025 E -91.8 162.3 4.0 0.025 0.0 GNP
HOH
 2.401
7.269
 HD21
HD21
 N7
O
4dls 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 ASN A:116 A:116 3.0 0.019 E -90.2 170.1 3.0 0.019 0.0 GNP
HOH
 3.063
6.669
 ND2
O
 N7
O
4dlt 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -92.3 169.1 4.0 0.025 0.0 GNP
HOH
 3.113
6.798
 ND2
O
 N7
O
4dlu 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -93.1 170.4 4.0 0.025 0.0 GNP
HOH
 3.202
6.682
 ND2
O
 N7
O
4dlw 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -93.2 170.7 4.0 0.025 0.0 GNP
HOH
 3.109
6.768
 ND2
O
 N7
O
4g0n 1 P01112 93.98 4e-107 X-RAY
 2013-07-17 ASN A:116 A:116 3.0 0.019 E -95.6 169.1 3.0 0.019 0.0 GNP
HOH
 3.190
7.058
 ND2
O
 N7
O
4nyj 2 P01112 93.98 4e-107 X-RAY
 2014-03-12 ASN B:116 R:116 1.0 0.006 E -109.3 127.5 1.0 0.006 0.0 HOH
 2.959
 ND2
 O
4nym 2 P01112 93.98 4e-107 X-RAY
 2014-03-12 ASN B:116 R:116 1.0 0.006 E -114.2 121.2 1.0 0.006 0.0
4rsg 1 P01112 93.98 4e-107 NEUTRON DIFFRACTION
 2015-11-04 ASN A:116 A:116 4.0 0.025 E -85.8 169.5 4.0 0.025 0.0 DOD
DOD
DOD
DOD
DOD
DOD
DOD
DOD
DOD
DOD
DOD
DOD
 5.913
7.607
8.983
7.432
9.697
9.297
7.870
8.307
9.023
7.871
9.621
7.073
 O
HB2
O
HA
HA
HA
O
O
O
O
O
O
 D1
D2
D2
D2
D2
O
D1
O
D1
D2
O
D2
5p21 1 P01112 93.98 4e-107 X-RAY
 1992-01-15 ASN A:116 A:116 4.0 0.025 E -94.6 168.9 4.0 0.025 0.0 GNP
HOH
 3.199
6.640
 ND2
O
 N7
O
4k81 2 P01112 93.37 4e-107 X-RAY
 2013-09-04 ASN B:121 B:116 4.0 0.025 E -93.0 172.2 4.0 0.025 0.0 GTP
HOH
 3.279
8.607
 ND2
N
 N7
O
ASN D:121 D:116 3.0 0.019 E -104.7 173.2 NA NA NA
ASN F:121 F:116 4.0 0.025 E -84.0 165.4 NA NA NA
ASN H:121 H:116 3.0 0.019 E -87.8 158.4 NA NA NA
6kyh 2 Q61411 93.41 5e-107 X-RAY
 2019-12-04 ASN E:120 F:116 5.0 0.031 E -89.6 176.4 NA NA NA
ASN F:120 G:116 6.0 0.037 E -86.6 174.5 NA NA NA
ASN G:120 H:116 6.0 0.037 E -86.9 176.0 NA NA NA
ASN H:120 E:116 5.0 0.031 E -86.5 176.7 5.0 0.031 0.0 GNP
 2.330
 ND2
 O6
4nyi 2 P01112 93.98 5e-107 X-RAY
 2014-03-12 ASN B:117 R:116 1.0 0.006 E -111.7 134.1 1.0 0.006 0.0 HOH
 3.685
 OD1
 O
5wfo 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 ASN A:117 Q:116 4.0 0.025 E -89.9 167.3 4.0 0.025 0.0 GNP
HOH
 3.094
6.612
 ND2
O
 N7
O
ASN B:117 R:116 1.0 0.006 E -106.5 127.6 1.0 0.006 0.0 HOH
 2.909
 OD1
 O
5wfp 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 ASN A:117 Q:116 3.0 0.019 E -88.7 169.5 3.0 0.019 0.0 GNP
HOH
 3.095
6.664
 ND2
O
 N7
O
ASN B:117 R:116 1.0 0.006 E -109.4 127.8 1.0 0.006 0.0 HOH
 2.933
 OD1
 O
5wfq 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 ASN A:117 Q:116 3.0 0.019 E -89.6 170.1 3.0 0.019 0.0 GNP
HOH
 3.101
6.756
 ND2
O
 N7
O
ASN B:117 R:116 1.0 0.006 E -109.6 129.7 1.0 0.006 0.0 HOH
 3.058
 OD1
 O
5wfr 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 ASN A:117 Q:116 4.0 0.025 E -92.6 171.0 4.0 0.025 0.0 GNP
HOH
 3.127
6.958
 ND2
O
 N7
O
ASN B:117 R:116 1.0 0.006 E -113.6 131.4 1.0 0.006 0.0 HOH
 3.342
 O
 O
6bvi 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 ASN C:117 C:116 1.0 0.006 E -109.6 128.4 1.0 0.006 0.0 FMT
HOH
 7.189
2.865
 ND2
O
 O1
O
6bvj 1 P01112 93.98 5e-107 X-RAY
 2018-10-24 ASN A:117 A:116 4.0 0.025 E -93.7 171.0 4.0 0.025 0.0 GNP
HOH
 3.166
6.832
 ND2
O
 N7
O
6bvj 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 ASN C:117 C:116 1.0 0.006 E -108.8 128.1 1.0 0.006 0.0 FMT
HOH
 7.126
2.883
 ND2
OD1
 O1
O
6bvk 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 ASN C:117 C:116 1.0 0.006 E -108.2 127.4 1.0 0.006 0.0 FMT
HOH
 7.089
2.892
 ND2
OD1
 O1
O
6bvl 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 ASN C:117 C:116 1.0 0.006 E -108.1 128.2 1.0 0.006 0.0 FMT
HOH
 7.120
2.849
 ND2
OD1
 O1
O
6bvm 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 ASN C:117 C:116 1.0 0.006 E -109.2 127.9 1.0 0.006 0.0 FMT
HOH
 7.103
2.902
 ND2
OD1
 O1
O
6cuo 3 P01112 93.98 5e-107 X-RAY
 2019-02-06 ASN C:117 C:116 1.0 0.006 E -108.7 127.7 1.0 0.006 0.0 FMT
HOH
 7.163
2.954
 ND2
OD1
 O1
O
6cup 3 P01112 93.98 5e-107 X-RAY
 2019-02-06 ASN C:117 C:116 1.0 0.006 E -110.7 125.4 1.0 0.006 0.0 FMT
HOH
 7.080
2.946
 ND2
OD1
 O1
O
6cur 3 P01112 93.98 5e-107 X-RAY
 2019-02-06 ASN C:117 C:116 1.0 0.006 E -109.9 128.1 1.0 0.006 0.0 FMT
HOH
 7.065
2.872
 ND2
OD1
 O1
O
6d55 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 1.0 0.006 E -107.8 130.0 1.0 0.006 0.0 FMT
HOH
 7.180
2.897
 ND2
OD1
 O1
O
6d56 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 1.0 0.006 E -108.1 128.4 1.0 0.006 0.0 FMT
HOH
 7.150
2.843
 ND2
OD1
 O1
O
6d59 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 1.0 0.006 E -109.2 128.7 1.0 0.006 0.0 FMT
HOH
 7.098
2.871
 ND2
OD1
 O1
O
6d5e 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 1.0 0.006 E -108.9 127.3 1.0 0.006 0.0 HOH
 2.780
 O
 O
6d5g 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 1.0 0.006 E -110.4 127.5 1.0 0.006 0.0 BME
HOH
 7.177
2.898
 ND2
OD1
 S2
O
6d5h 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 0.0 0.0 E -109.1 125.6 0.0 0.0 0.0 HOH
 2.913
 OD1
 O
6d5j 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 1.0 0.006 E -108.3 128.9 1.0 0.006 0.0 FMT
HOH
 7.066
2.876
 ND2
OD1
 O1
O
6d5l 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN C:117 C:116 0.0 0.0 E -107.8 128.1 0.0 0.0 0.0 FMT
HOH
 7.223
2.847
 ND2
OD1
 O1
O
6d5m 2 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN B:117 R:116 1.0 0.006 E -105.1 128.0 1.0 0.006 0.0 HOH
 2.851
 OD1
 O
6d5v 2 P01112 93.98 5e-107 X-RAY
 2018-09-19 ASN B:117 R:116 1.0 0.006 E -105.4 128.0 1.0 0.006 0.0 HOH
 2.904
 OD1
 O
6d5w 2 P01112 93.98 5e-107 X-RAY
 2019-03-27 ASN B:117 R:116 1.0 0.006 E -112.1 123.6 1.0 0.006 0.0 HOH
 2.695
 ND2
 O
6v94 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 ASN C:117 C:116 1.0 0.006 E -110.3 128.7 1.0 0.006 0.0 FMT
HOH
 7.137
2.895
 ND2
OD1
 O1
O
6v9f 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 ASN C:117 C:116 1.0 0.006 E -107.0 128.0 1.0 0.006 0.0 FMT
HOH
 7.169
2.935
 ND2
OD1
 O1
O
6v9j 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 ASN C:117 C:116 1.0 0.006 E -109.8 128.8 1.0 0.006 0.0 FMT
HOH
 7.186
2.844
 ND2
OD1
 O1
O
6v9l 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 ASN C:117 C:116 1.0 0.006 E -106.2 127.6 1.0 0.006 0.0 FMT
HOH
 7.247
2.877
 ND2
OD1
 O1
O
6v9m 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 ASN C:117 C:116 1.0 0.006 E -107.3 128.2 1.0 0.006 0.0 FMT
HOH
 7.122
2.834
 ND2
OD1
 O1
O
6v9n 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 ASN C:117 C:116 1.0 0.006 E -108.9 126.9 1.0 0.006 0.0 FMT
HOH
 7.114
2.856
 ND2
OD1
 O1
O
6v9o 3 P01112 93.98 5e-107 X-RAY
 2020-12-16 ASN C:117 C:116 1.0 0.006 E -107.8 127.4 1.0 0.006 0.0 FMT
HOH
 7.073
2.967
 ND2
OD1
 O1
O
6zl3 1 P01112 93.98 5e-107 X-RAY
 2020-08-19 ASN A:117 A:116 3.0 0.019 E -91.0 167.7 3.0 0.019 0.0 GDP
HOH
 3.252
6.758
 ND2
O
 N7
O
5wdo 1 P01112 93.98 6e-107 X-RAY
 2017-07-19 ASN A:120 A:116 4.0 0.025 E -95.7 170.7 4.0 0.025 0.0 MG
GNP
HOH
 9.736
2.533
6.683
 HD22
HD21
O
 MG
N7
O
1xcm 1 P01112 92.81 7e-107 X-RAY
 2005-05-10 ASN A:116 A:116 3.0 0.019 E -91.8 166.1 3.0 0.019 0.0 GNP
HOH
 3.183
6.690
 ND2
O
 N7
O
6ntc 1 P01112 93.37 7e-107 X-RAY
 2020-03-04 ASN A:121 A:116 3.0 0.019 E -90.2 171.3 3.0 0.019 0.0 GNP
MG
HOH
 3.629
9.763
9.348
 ND2
ND2
ND2
 N7
MG
O
6ntd 1 P01112 93.37 7e-107 X-RAY
 2020-03-04 ASN A:121 A:116 2.0 0.013 E -78.1 171.6 2.0 0.013 0.0 MG
GNP
 9.486
3.039
 ND2
OD1
 MG
O6
2c5l 1 P01112 93.37 8e-107 X-RAY
 2006-02-20 ASN A:123 A:116 3.0 0.019 E -90.0 172.2 3.0 0.019 0.0 GTP
HOH
 3.196
6.564
 ND2
O
 N7
O
ASN B:123 B:116 4.0 0.025 E -85.9 168.9 NA NA NA
4uru 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 2.0 0.013 E -93.9 135.9 2.0 0.013 0.0 HOH
 3.460
 ND2
 O
4urv 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 2.0 0.013 E -101.2 128.8 2.0 0.013 0.0 HOH
 3.711
 ND2
 O
4urw 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 1.0 0.006 E -97.6 126.6 1.0 0.006 0.0 HOH
 3.145
 ND2
 O
4urx 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 1.0 0.006 E -102.9 128.4 1.0 0.006 0.0 HOH
 3.082
 O
 O
4ury 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 1.0 0.006 E -105.2 125.0 1.0 0.006 0.0 HOH
 3.155
 O
 O
4urz 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 1.0 0.006 E -105.4 126.2 1.0 0.006 0.0 HOH
 3.223
 O
 O
4us0 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 1.0 0.006 E -107.0 127.6 1.0 0.006 0.0 NEQ
HOH
 5.342
3.269
 ND2
ND2
 C2
O
4us1 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 2.0 0.013 E -102.1 129.0 2.0 0.013 0.0 L71
HOH
 5.807
3.811
 O
ND2
 O
O
4us2 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 ASN A:135 R:116 2.0 0.013 E -102.6 122.8 2.0 0.013 0.0 L7S
HOH
 5.213
3.308
 O
ND2
 O
O
4efm 1 P01112 93.37 9e-107 X-RAY
 2012-05-16 ASN A:121 A:116 4.0 0.025 E -85.2 168.3 4.0 0.025 0.0 GNP
HOH
 3.127
6.791
 OD1
O
 N7
O
4efl 1 P01112 93.98 9e-107 X-RAY
 2012-05-16 ASN A:121 A:116 4.0 0.025 E -86.5 168.8 4.0 0.025 0.0 GNP
HOH
 3.155
6.724
 OD1
O
 N7
O
5b2z 1 P01112 93.98 9e-107 X-RAY
 2016-06-01 ASN A:121 A:116 4.0 0.025 E -91.3 171.5 4.0 0.025 0.0 GNP
HOH
 3.101
6.610
 ND2
O
 N7
O
5b30 1 P01112 93.98 9e-107 X-RAY
 2016-06-01 ASN A:121 A:116 4.0 0.025 E -89.5 169.9 4.0 0.025 0.0 GNP
HOH
 3.103
6.599
 ND2
O
 N7
O
1iaq 1 P01112 93.37 9e-107 X-RAY
 2001-06-06 ASN A:116 A:116 4.0 0.025 E -86.7 169.0 4.0 0.025 0.0 GNP
 3.306
 ND2
 N7
ASN B:116 B:116 4.0 0.025 E -86.5 168.9 NA NA NA
ASN C:116 C:116 4.0 0.025 E -87.1 169.5 NA NA NA
5zc6 1 P01112 93.37 9e-107 NMR
 2018-09-12 ASN A:116 A:116 3.0 0.019 E -75.5 157.0 3.0 0.019 0.0 GNP
MG
 3.207
9.522
 OD1
HD22
 O6
MG
1lfd 2 P01112 92.81 1e-106 X-RAY
 1999-05-04 ASN B:116 B:316 3.0 0.019 E -84.3 164.9 3.0 0.019 0.0 GNP
HOH
 3.172
6.854
 ND2
O
 N7
O
ASN D:116 D:316 4.0 0.025 E -77.6 164.2 NA NA NA
2quz 1 P01112 93.37 1e-106 X-RAY
 2007-12-11 ASN A:116 A:116 3.0 0.019 E -93.8 167.9 3.0 0.019 0.0 GDP
HOH
 3.101
6.620
 ND2
O
 N7
O
3k9l 1 P01112 93.37 1e-106 X-RAY
 2010-11-03 ASN A:116 A:116 4.0 0.025 E -94.3 171.2 4.0 0.025 0.0 GNP
HOH
 3.116
6.588
 ND2
O
 N7
O
ASN B:116 B:116 4.0 0.025 E -88.9 159.9 NA NA NA
ASN C:116 C:116 4.0 0.025 E -98.9 163.0 NA NA NA
3k9n 1 P01112 93.37 1e-106 X-RAY
 2010-03-02 ASN A:116 A:116 4.0 0.025 E -95.1 170.1 4.0 0.025 0.0 GNP
HOH
 3.213
6.674
 ND2
O
 N7
O
4xvr 1 P01112 93.37 1e-106 X-RAY
 2015-06-17 ASN A:116 A:116 3.0 0.019 E -95.0 169.0 3.0 0.019 0.0 MG
GNP
HOH
 9.827
3.229
6.665
 ND2
ND2
O
 MG
N7
O
3v4f 1 P20171 93.37 1e-106 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -95.4 169.2 4.0 0.025 0.0 GNP
HOH
 3.116
6.700
 ND2
O
 N7
O
4dlr 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -93.4 170.1 4.0 0.025 0.0 GNP
HOH
 3.103
6.626
 ND2
O
 N7
O
4dlv 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 ASN A:116 A:116 3.0 0.019 E -93.8 168.7 3.0 0.019 0.0 GNP
HOH
 3.113
6.699
 ND2
O
 N7
O
4dlx 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -93.8 170.6 4.0 0.025 0.0 GNP
HOH
 3.132
6.716
 ND2
O
 N7
O
4dly 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -93.0 169.9 4.0 0.025 0.0 GNP
HOH
 3.096
6.713
 ND2
O
 N7
O
4dlz 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 ASN A:116 A:116 4.0 0.025 E -95.3 170.7 4.0 0.025 0.0 GNP
HOH
 3.100
6.689
 ND2
O
 N7
O
3lo5 1 P01112 93.37 1e-106 X-RAY
 2010-03-02 ASN A:116 A:116 3.0 0.019 E -87.5 168.5 3.0 0.019 0.0 GDP
HOH
 3.098
6.701
 ND2
O
 N7
O
ASN B:116 C:116 3.0 0.019 E -87.6 168.5 NA NA NA
ASN C:116 E:116 3.0 0.019 E -86.9 168.4 NA NA NA
1xj0 1 P01112 93.37 2e-106 X-RAY
 2005-05-10 ASN A:116 A:116 3.0 0.019 E -91.6 169.0 3.0 0.019 0.0 GDP
HOH
 3.114
6.619
 ND2
O
 N7
O
2rgb 1 P01112 93.37 2e-106 X-RAY
 2007-12-18 ASN A:116 A:116 4.0 0.025 E -90.8 170.1 4.0 0.025 0.0 GNP
HOH
 3.060
6.749
 ND2
O
 N7
O
221p 1 P01112 93.37 2e-106 X-RAY
 1994-01-31 ASN A:116 A:116 5.0 0.031 E -90.8 165.0 5.0 0.031 0.0 GNP
HOH
 3.013
7.046
 ND2
O
 N7
O
2x1v 1 P01112 93.37 2e-106 X-RAY
 2010-01-12 ASN A:116 A:116 3.0 0.019 E -82.0 160.5 3.0 0.019 0.0 GDP
HOH
 3.268
4.458
 ND2
O
 N7
O
5wdp 1 P01112 93.37 2e-106 X-RAY
 2017-07-19 ASN A:116 A:116 4.0 0.025 E -93.9 170.4 4.0 0.025 0.0 GNP
CA
MG
HOH
 2.518
9.687
9.687
6.761
 HD21
HD22
HD22
O
 N7
CA
MG
O
621p 1 P01112 93.37 2e-106 X-RAY
 1994-01-31 ASN A:116 A:116 3.0 0.019 E -86.0 162.2 3.0 0.019 0.0 GNP
HOH
 3.270
7.291
 ND2
O
 N7
O
521p 1 P01112 92.77 2e-106 X-RAY
 1994-01-31 ASN A:116 A:116 1.0 0.006 E -82.4 162.0 1.0 0.006 0.0 GTP
 3.593
 ND2
 N7
5uhv 1 P01111 93.98 2e-106 X-RAY
 2017-06-28 ASN A:116 A:116 4.0 0.025 E -99.5 168.3 4.0 0.025 0.0 GNP
HOH
 3.148
6.735
 ND2
O
 N7
O
1lf0 1 P01112 93.37 2e-106 X-RAY
 2002-11-06 ASN A:116 A:116 3.0 0.019 E -92.9 171.4 3.0 0.019 0.0 GNP
HOH
 3.100
6.814
 ND2
O
 N7
O
1lf5 1 P01112 93.37 2e-106 X-RAY
 2002-11-06 ASN A:116 A:116 4.0 0.025 E -91.4 169.6 4.0 0.025 0.0 GDP
HOH
 3.064
6.608
 ND2
O
 N7
O
1nvu 1 P01112 93.37 2e-106 X-RAY
 2003-04-01 ASN A:116 Q:116 4.0 0.025 E -87.3 170.3 4.0 0.025 0.0 GTP
HOH
 3.219
6.721
 ND2
O
 N7
O
ASN B:116 R:116 3.0 0.019 E -110.4 138.2 3.0 0.019 0.0 PO4
HOH
 6.994
2.730
 ND2
ND2
 O4
O
1nvx 1 P01112 93.37 2e-106 X-RAY
 2003-04-01 ASN A:116 Q:116 4.0 0.025 E -79.3 174.4 4.0 0.025 0.0 GTP
 2.914
 ND2
 N7
ASN B:116 R:116 2.0 0.013 E -117.2 136.2 2.0 0.013 0.0 PO4
 7.024
 ND2
 O4
2lcf 1 P01112 93.37 3e-106 NMR
 2011-09-28 ASN A:122 A:116 2.0 0.013 E -64.9 171.1 2.0 0.013 0.0 GNP
HOH
 3.533
9.652
 OD1
HD21
 O6
O
2lwi 1 P01112 93.37 3e-106 NMR
 2013-05-22 ASN A:122 A:116 2.0 0.013 E -66.7 168.9 2.0 0.013 0.0 GNP
MG
HOH
 3.101
8.605
6.608
 OD1
HD22
HD22
 O6
MG
H2
2n42 1 P01112 93.37 3e-106 NMR
 2015-07-01 ASN A:122 A:116 18.0 0.113 -92.6 179.4 18.0 0.113 0.0
2n46 1 P01112 93.37 3e-106 NMR
 2015-07-01 ASN A:122 A:116 9.0 0.056 E -102.2 167.1 9.0 0.056 0.0
3kkm 1 P01112 93.37 3e-106 X-RAY
 2010-06-16 ASN A:122 A:116 4.0 0.025 E -93.4 170.2 4.0 0.025 0.0 GNP
HOH
 3.125
6.498
 ND2
O
 N7
O
3kkn 1 P01112 93.37 3e-106 X-RAY
 2010-06-16 ASN A:122 A:116 4.0 0.025 E -89.5 170.4 4.0 0.025 0.0 GNP
HOH
 3.066
6.744
 ND2
O
 N7
O
3i3s 1 P01112 93.37 3e-106 X-RAY
 2009-12-22 ASN A:116 R:116 4.0 0.025 E -94.4 168.3 4.0 0.025 0.0 GNP
HOH
 3.149
6.682
 ND2
O
 N7
O
5wdq 1 P01112 93.37 3e-106 X-RAY
 2017-07-19 ASN A:120 A:116 4.0 0.025 E -90.9 169.6 4.0 0.025 0.0 GNP
CA
MG
ACT
HOH
 2.419
9.601
9.600
8.536
6.716
 HD21
HD22
HD22
O
O
 N7
CA
MG
H3
O
2cld 1 P01112 93.37 4e-106 X-RAY
 2006-05-31 ASN A:116 X:116 4.0 0.025 E -95.8 168.3 4.0 0.025 0.0 GDP
HOH
 3.214
6.463
 ND2
O
 N7
O
1nvv 1 P01112 93.37 5e-106 X-RAY
 2003-04-01 ASN A:116 Q:116 4.0 0.025 E -90.3 165.0 4.0 0.025 0.0 GNP
HOH
 3.088
6.705
 ND2
O
 N7
O
1xd2 1 P01112 93.37 5e-106 X-RAY
 2004-11-02 ASN A:116 A:116 4.0 0.025 E -91.0 167.5 4.0 0.025 0.0 GDP
 3.098
 ND2
 N7
4nyj 1 P01112 93.37 5e-106 X-RAY
 2014-03-12 ASN A:116 Q:116 3.0 0.019 E -93.2 170.3 3.0 0.019 0.0 GNP
HOH
 3.292
8.426
 ND2
O
 N7
O
4nym 1 P01112 93.37 5e-106 X-RAY
 2014-03-12 ASN A:116 Q:116 4.0 0.025 E -83.1 176.1 4.0 0.025 0.0 GNP
 3.094
 ND2
 N7
7dph 1 P01112 93.37 5e-106 X-RAY
 2021-07-28 ASN A:121 A:116 3.0 0.019 E -91.1 169.1 3.0 0.019 0.0 GNP
HOH
 3.087
6.625
 ND2
O
 N7
O
1zvq 1 P01112 93.37 5e-106 X-RAY
 2006-03-14 ASN A:116 A:116 3.0 0.019 E -94.9 169.8 3.0 0.019 0.0 GDP
HOH
 3.160
6.800
 ND2
O
 N7
O
1zw6 1 P01112 93.37 5e-106 X-RAY
 2006-03-14 ASN A:116 A:116 4.0 0.025 E -93.1 168.9 4.0 0.025 0.0 GNP
HOH
 3.075
6.654
 ND2
O
 N7
O
2rgd 1 P01112 93.37 6e-106 X-RAY
 2007-12-18 ASN A:116 A:116 3.0 0.019 E -88.0 168.7 3.0 0.019 0.0 GNP
HOH
 3.058
6.689
 ND2
O
 N7
O
3oiu 1 P01112 93.37 6e-106 X-RAY
 2010-12-08 ASN A:116 A:116 4.0 0.025 E -91.6 169.7 4.0 0.025 0.0 GNP
HOH
 3.145
6.658
 ND2
O
 N7
O
4g3x 1 P01112 93.37 6e-106 X-RAY
 2013-07-17 ASN A:116 A:116 1.0 0.006 E -66.6 169.0 1.0 0.006 0.0 GNP
HOH
 3.295
6.930
 OD1
O
 O6
O
721p 1 P01112 93.37 6e-106 X-RAY
 1994-01-31 ASN A:116 A:116 3.0 0.019 E -91.4 169.7 3.0 0.019 0.0 GNP
HOH
 3.140
7.562
 ND2
ND2
 N7
O
2rgc 1 P01112 93.37 7e-106 X-RAY
 2007-12-18 ASN A:116 A:116 4.0 0.025 E -90.9 170.5 4.0 0.025 0.0 GNP
HOH
 3.031
6.772
 ND2
O
 N7
O
4nyi 1 P01112 93.37 7e-106 X-RAY
 2014-03-12 ASN A:117 Q:116 3.0 0.019 E -88.7 169.8 3.0 0.019 0.0 GNP
HOH
 3.185
6.520
 ND2
O
 N7
O
6bvi 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 ASN A:117 A:116 4.0 0.025 E -93.5 170.1 4.0 0.025 0.0 GNP
HOH
 3.169
6.851
 ND2
O
 N7
O
6bvk 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 ASN A:117 A:116 4.0 0.025 E -94.2 168.1 4.0 0.025 0.0 GNP
HOH
 3.172
6.771
 ND2
O
 N7
O
6bvl 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 ASN A:117 A:116 4.0 0.025 E -94.3 170.3 4.0 0.025 0.0 GNP
HOH
 3.164
6.802
 ND2
O
 N7
O
6bvm 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 ASN A:117 A:116 4.0 0.025 E -94.8 168.2 4.0 0.025 0.0 GNP
HOH
 3.137
6.777
 ND2
O
 N7
O
6cuo 1 P01112 93.37 7e-106 X-RAY
 2019-02-06 ASN A:117 A:116 4.0 0.025 E -93.7 169.9 4.0 0.025 0.0 GNP
HOH
 3.129
6.774
 ND2
O
 N7
O
6cup 1 P01112 93.37 7e-106 X-RAY
 2019-02-06 ASN A:117 A:116 4.0 0.025 E -93.1 168.9 4.0 0.025 0.0 GNP
HOH
 3.133
6.767
 ND2
O
 N7
O
6cur 1 P01112 93.37 7e-106 X-RAY
 2019-02-06 ASN A:117 A:116 4.0 0.025 E -94.9 169.0 4.0 0.025 0.0 GNP
HOH
 3.132
6.764
 ND2
O
 N7
O
6d55 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 4.0 0.025 E -94.3 170.6 4.0 0.025 0.0 GNP
HOH
 3.136
6.725
 ND2
O
 N7
O
6d56 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 4.0 0.025 E -93.1 169.4 4.0 0.025 0.0 GNP
HOH
 3.110
6.753
 ND2
O
 N7
O
6d59 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 4.0 0.025 E -94.5 169.5 4.0 0.025 0.0 GNP
HOH
 3.120
6.744
 ND2
O
 N7
O
6d5e 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 3.0 0.019 E -94.4 169.5 3.0 0.019 0.0 GNP
HOH
 3.130
6.737
 ND2
O
 N7
O
6d5g 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 4.0 0.025 E -93.7 168.5 4.0 0.025 0.0 GNP
MG
HOH
 3.177
9.980
6.664
 ND2
ND2
O
 N7
MG
O
6d5h 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 4.0 0.025 E -94.5 168.2 4.0 0.025 0.0 GNP
HOH
 3.166
6.742
 ND2
O
 N7
O
6d5j 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 3.0 0.019 E -94.9 169.0 3.0 0.019 0.0 GNP
HOH
 3.115
6.736
 ND2
O
 N7
O
6d5l 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 A:116 4.0 0.025 E -92.8 169.5 4.0 0.025 0.0 GNP
HOH
 3.122
6.776
 ND2
O
 N7
O
6d5m 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 Q:116 4.0 0.025 E -89.6 169.6 4.0 0.025 0.0 MG
GNP
HOH
 9.995
3.183
6.691
 ND2
ND2
O
 MG
N7
O
6d5v 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 ASN A:117 Q:116 4.0 0.025 E -88.4 167.7 4.0 0.025 0.0 MG
GNP
HOH
 9.960
3.134
6.612
 ND2
ND2
O
 MG
N7
O
6d5w 1 P01112 93.37 7e-106 X-RAY
 2019-03-27 ASN A:117 Q:116 5.0 0.031 E -84.7 172.3 5.0 0.031 0.0 GNP
HOH
 3.218
6.539
 ND2
O
 N7
O
6v94 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 ASN A:117 A:116 4.0 0.025 E -94.0 168.4 4.0 0.025 0.0 GNP
HOH
 3.123
6.765
 ND2
O
 N7
O
6v9f 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 ASN A:117 A:116 4.0 0.025 E -93.8 170.2 4.0 0.025 0.0 GNP
HOH
 3.157
6.683
 ND2
O
 N7
O
6v9j 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 ASN A:117 A:116 4.0 0.025 E -93.3 169.3 4.0 0.025 0.0 GNP
HOH
 3.107
6.753
 ND2
O
 N7
O
6v9l 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 ASN A:117 A:116 4.0 0.025 E -92.4 170.4 4.0 0.025 0.0 GNP
HOH
 3.105
6.819
 ND2
O
 N7
O
6v9m 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 ASN A:117 A:116 4.0 0.025 E -93.8 169.0 4.0 0.025 0.0 GNP
HOH
 3.129
6.792
 ND2
O
 N7
O
6v9n 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 ASN A:117 A:116 4.0 0.025 E -94.3 170.3 4.0 0.025 0.0 GNP
HOH
 3.135
6.760
 ND2
O
 N7
O
6v9o 1 P01112 93.37 7e-106 X-RAY
 2020-12-16 ASN A:117 A:116 4.0 0.025 E -94.8 169.7 4.0 0.025 0.0 GNP
HOH
 3.144
6.774
 ND2
O
 N7
O
3ddc 1 P01112 92.77 7e-106 X-RAY
 2008-07-15 ASN A:116 A:116 3.0 0.019 E -90.8 170.5 3.0 0.019 0.0 GNP
HOH
 3.060
6.688
 ND2
O
 N7
O
2rga 1 P01112 93.37 8e-106 X-RAY
 2007-12-18 ASN A:116 A:116 4.0 0.025 E -88.6 168.6 4.0 0.025 0.0 GNP
HOH
 3.056
6.686
 ND2
O
 N7
O
2rgg 1 P01112 93.37 8e-106 X-RAY
 2007-12-18 ASN A:116 A:116 4.0 0.025 E -92.3 169.6 4.0 0.025 0.0 GNP
HOH
 3.132
6.713
 ND2
O
 N7
O
4xvq 1 P01112 93.37 9e-106 X-RAY
 2015-06-17 ASN A:116 A:116 3.0 0.019 E -96.5 167.5 3.0 0.019 0.0 GNP
HOH
 3.229
6.756
 ND2
O
 N7
O
5vbe 1 P01112 93.37 9e-106 X-RAY
 2017-10-25 ASN A:121 A:116 4.0 0.025 E -94.7 169.7 4.0 0.025 0.0 GDP
HOH
 2.406
6.696
 HD22
O
 N7
O
5vbz 1 P01112 93.37 9e-106 X-RAY
 2017-10-25 ASN A:121 A:116 4.0 0.025 E -88.4 171.2 4.0 0.025 0.0 GNP
MG
HOH
 2.379
9.731
6.693
 HD21
HD22
O
 N7
MG
O
ASN B:121 B:116 3.0 0.019 E -85.4 170.3 NA NA NA
ASN C:121 C:116 4.0 0.025 E -84.1 167.0 NA NA NA
4efn 1 P01112 93.37 1e-105 X-RAY
 2012-05-16 ASN A:121 A:116 4.0 0.025 E -85.1 167.9 4.0 0.025 0.0 GNP
HOH
 3.198
6.754
 OD1
O
 N7
O
7dpj 1 P01112 93.37 1e-105 X-RAY
 2021-07-28 ASN A:121 A:116 3.0 0.019 E -92.1 168.9 3.0 0.019 0.0 GNP
HOH
 3.037
6.672
 ND2
O
 N7
O
6wgh 1 P01111 88.33 1e-105 X-RAY
 2020-05-20 ASN A:127 A:126 4.0 0.025 E -97.7 169.4 4.0 0.025 0.0 GDP
HOH
 3.054
6.801
 ND2
O
 N7
O
ASN B:127 B:126 4.0 0.025 E -99.6 166.1 NA NA NA
7jhp 1 P01112 93.37 2e-105 X-RAY
 2020-08-05 ASN A:116 A:116 2.0 0.013 E -99.8 171.2 2.0 0.013 0.0 GNP
MG
HOH
 3.172
9.896
8.590
 ND2
ND2
OD1
 N7
MG
O
2ce2 1 P01112 92.77 3e-104 X-RAY
 2006-08-23 ASN A:116 X:116 4.0 0.025 E -94.3 163.7 4.0 0.025 0.0 GDP
HOH
 3.042
6.191
 ND2
O
 N7
O
2cl0 1 P01112 92.77 3e-104 X-RAY
 2006-05-31 ASN A:116 X:116 4.0 0.025 E -96.2 167.5 4.0 0.025 0.0 GNP
HOH
 3.152
6.625
 ND2
O
 N7
O
2cl6 1 P01112 92.77 3e-104 X-RAY
 2006-05-24 ASN A:116 X:116 4.0 0.025 E -93.0 172.7 4.0 0.025 0.0 CAG
HOH
 3.157
6.383
 ND2
O
 N7
O
2cl7 1 P01112 92.77 3e-104 X-RAY
 2006-05-24 ASN A:116 X:116 4.0 0.025 E -94.4 167.0 4.0 0.025 0.0 GTP
HOH
 2.971
6.437
 ND2
O
 N7
O
2clc 1 P01112 92.77 3e-104 X-RAY
 2006-05-24 ASN A:116 X:116 4.0 0.025 E -94.5 165.2 4.0 0.025 0.0 GTP
HOH
 2.981
6.350
 ND2
O
 N7
O
2evw 1 P01112 92.77 3e-104 X-RAY
 2006-05-30 ASN A:116 X:116 5.0 0.031 E -97.4 168.3 5.0 0.031 0.0 CAG
HOH
 2.969
6.404
 ND2
O
 N7
O

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-p01116-f1 1 P01116 100.0 3e-141 ASN A:116 A:116 3.0 0.019 E -84.1 166.8
af-p01111-f1 1 P01111 86.84 2e-112 ASN A:116 A:116 3.0 0.019 E -82.4 165.1
af-p01112-f1 1 P01112 86.77 3e-112 ASN A:116 A:116 3.0 0.019 E -84.2 167.0