Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr12 25368449 . A C CCDS8703.1:NM_033360.2:c.496Tac>Gac_NP_203524.1:p.166Y>D 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 HIS A:166 A:166 87.0 0.446 H -63.9 -41.2 87.0 0.446 0.0 HOH
 2.866
 HB2
 O
HIS B:166 B:166 77.0 0.395 H -63.9 -42.1 NA NA NA
HIS C:166 C:166 77.0 0.395 H -64.0 -43.1 NA NA NA
5xco 1 P01116 95.86 3e-119 X-RAY
 2017-05-24 HIS A:168 A:166 87.0 0.446 H -90.1 -22.1 87.0 0.446 0.0 HOH
 4.815
 N
 O
6ob3 1 P01116 95.86 4e-119 X-RAY
 2019-10-16 HIS A:167 A:166 65.0 0.333 H -66.7 -37.4 65.0 0.333 0.0 HOH
 3.632
 CE1
 O
HIS C:167 C:166 158.0 0.81 81.7 360.0 NA NA NA
6xgv 1 P01116 95.86 4e-119 X-RAY
 2021-01-13 HIS A:167 A:166 94.0 0.482 H -64.9 -39.0 94.0 0.482 0.0 HOH
 3.214
 ND1
 O
7kfz 1 P01116 95.86 4e-119 EM
 2021-03-31 HIS A:167 A:166 94.0 0.482 H -64.6 -26.8 94.0 0.482 0.0
HIS C:167 C:166 92.0 0.472 H -64.6 -40.5 92.0 0.472 0.0
6gj6 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 HIS A:167 A:166 94.0 0.482 H -59.2 -34.5 94.0 0.482 0.0 HOH
 3.799
 CD2
 O
6gj7 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 HIS A:167 A:166 126.0 0.646 -67.6 360.0 126.0 0.646 0.0 HOH
 3.052
 NE2
 O
6quv 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 HIS A:167 A:166 66.0 0.338 H -76.4 -33.5 66.0 0.338 0.0 HOH
 3.181
 NE2
 O
HIS B:167 B:166 95.0 0.487 H -63.6 -38.3 95.0 0.487 0.0 HOH
 3.674
 CD2
 O
6quw 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 HIS A:167 A:166 64.0 0.328 H -74.2 -22.6 64.0 0.328 0.0 HOH
 3.187
 NE2
 O
HIS B:167 B:166 95.0 0.487 H -62.1 -38.5 95.0 0.487 0.0 HOH
 3.644
 CD2
 O
6qux 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 HIS A:167 A:166 82.0 0.421 H -73.2 -35.7 82.0 0.421 0.0 HOH
 2.783
 HE1
 O
HIS B:167 B:166 103.0 0.528 H -70.9 -33.1 103.0 0.528 0.0 HOH
 2.814
 HB2
 O
6zli 1 P01116 95.86 4e-119 X-RAY
 2020-08-19 HIS A:167 A:166 60.0 0.308 H -71.8 -35.2 60.0 0.308 0.0 HOH
 3.392
 CE1
 O
HIS B:167 B:166 108.0 0.554 H -63.4 -45.4 NA NA NA
7aca 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 HIS A:167 A:166 94.0 0.482 H -67.2 -34.2 94.0 0.482 0.0 HOH
 3.145
 ND1
 O
HIS B:167 B:166 100.0 0.513 H -64.1 -38.9 NA NA NA
HIS C:167 C:166 98.0 0.503 H -64.9 -38.1 NA NA NA
HIS D:167 D:166 115.0 0.59 H -63.7 -39.0 115.0 0.59 0.0 HOH
 3.145
 CD2
 O
7acf 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 HIS A:167 A:166 87.0 0.446 H -61.8 -42.3 87.0 0.446 0.0 HOH
 3.449
 CE1
 O
HIS B:167 B:166 99.0 0.508 H -63.4 -44.5 99.0 0.508 0.0 HOH
 3.441
 CE1
 O
HIS C:167 C:166 147.0 0.754 80.8 136.6 NA NA NA
HIS D:167 D:166 100.0 0.513 H -63.4 -41.5 NA NA NA
7ach 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 HIS A:167 A:166 52.0 0.267 H -77.1 -45.4 52.0 0.267 0.0 HOH
 3.468
 O
 O
HIS B:167 B:166 101.0 0.518 H -62.2 -40.4 101.0 0.518 0.0 HOH
 3.532
 ND1
 O
7acq 1 P01116 95.86 4e-119 X-RAY
 2020-11-18 HIS A:167 A:166 101.0 0.518 H -64.9 -40.4 101.0 0.518 0.0 HOH
 3.025
 NE2
 O
HIS B:167 B:166 98.0 0.503 H -64.7 -39.4 98.0 0.503 0.0 HOH
 2.682
 NE2
 O
HIS C:167 C:166 99.0 0.508 H -62.1 -48.8 92.0 0.472 0.036 B:P01116:0.036
 HOH
 3.051
 NE2
 O
7ew9 1 P01116 95.86 4e-119 X-RAY
 2021-12-29 HIS A:167 A:166 91.0 0.467 H -63.2 -41.3 91.0 0.467 0.0 HOH
 3.804
 CB
 O
HIS B:167 B:166 127.0 0.651 H -109.4 -23.7 NA NA NA
HIS C:167 C:166 88.0 0.451 H -65.2 -36.8 NA NA NA
7ewa 1 P01116 95.86 4e-119 X-RAY
 2021-12-29 HIS A:167 A:166 108.0 0.554 H -54.2 -44.9 108.0 0.554 0.0 HOH
 3.735
 CD2
 O
HIS B:167 B:166 106.0 0.544 H -113.5 -25.7 NA NA NA
HIS C:167 C:166 91.0 0.467 H -56.0 -41.0 NA NA NA
7ewb 1 P01116 95.86 4e-119 X-RAY
 2021-12-29 HIS A:167 A:166 87.0 0.446 H -61.2 -45.1 87.0 0.446 0.0 HOH
 3.785
 N
 O
HIS B:167 B:166 119.0 0.61 H -112.8 -25.0 NA NA NA
HIS C:167 C:166 88.0 0.451 H -57.3 -42.7 NA NA NA
6quu 1 P01116 95.86 4e-119 X-RAY
 2019-07-31 HIS A:184 A:166 65.0 0.333 H -72.2 -28.7 65.0 0.333 0.0 HOH
 3.202
 NE2
 O
HIS B:184 B:166 90.0 0.462 H -65.3 -40.6 NA NA NA
6gj8 1 P01116 96.41 5e-119 X-RAY
 2019-07-31 HIS A:167 A:166 81.0 0.415 H -64.7 -37.4 81.0 0.415 0.0 HOH
 2.736
 O
 O
4tqa 1 P01116 96.41 5e-119 X-RAY
 2015-06-10 HIS A:167 A:166 84.0 0.431 H -66.5 -45.5 84.0 0.431 0.0 HOH
 2.482
 HD2
 O
HIS B:167 B:166 79.0 0.405 H -66.5 -43.4 NA NA NA
4ql3 1 P01116 95.86 5e-119 X-RAY
 2015-06-10 HIS A:167 A:166 73.0 0.374 H -66.8 -42.0 73.0 0.374 0.0 HOH
 2.551
 HA
 O
6cu6 1 P01116 95.86 5e-119 X-RAY
 2019-09-25 HIS A:167 A:166 85.0 0.436 H -72.8 -51.1 85.0 0.436 0.0 HOH
 3.971
 CB
 O
HIS B:167 B:166 92.0 0.472 H -68.2 -31.4 NA NA NA
HIS C:167 C:166 97.0 0.497 H -59.2 -50.7 NA NA NA
5us4 1 P01116 95.86 7e-119 X-RAY
 2017-03-22 HIS A:186 A:166 87.0 0.446 H -91.1 -31.2 87.0 0.446 0.0 HOH
 3.461
 CD2
 O
HIS B:186 B:166 85.0 0.436 H -92.5 -34.7 NA NA NA
5usj 1 P01116 95.86 7e-119 X-RAY
 2017-03-22 HIS A:186 A:166 83.0 0.426 H -55.4 -47.0 83.0 0.426 0.0 HOH
 3.276
 O
 O
HIS B:186 B:166 102.0 0.523 H -60.4 -48.1 NA NA NA
HIS C:186 C:166 87.0 0.446 T -69.1 37.6 NA NA NA
HIS D:186 D:166 99.0 0.508 H -64.6 -49.6 NA NA NA
HIS E:186 E:166 120.0 0.615 -70.4 360.0 NA NA NA
HIS F:186 F:166 127.0 0.651 -77.5 360.0 NA NA NA
4l8g 1 P01116 95.86 8e-119 X-RAY
 2013-11-27 HIS A:167 A:166 94.0 0.482 H -69.0 -32.7 94.0 0.482 0.0 HOH
 3.436
 HD1
 O
4ldj 1 P01116 95.86 8e-119 X-RAY
 2014-06-04 HIS A:167 A:166 71.0 0.364 H -63.5 -41.0 71.0 0.364 0.0 HOH
 2.632
 HA
 O
4nmm 1 P01116 95.86 8e-119 X-RAY
 2014-06-04 HIS A:167 A:166 75.0 0.385 H -66.3 -44.0 75.0 0.385 0.0 HOH
 3.771
 N
 O
7a1w 1 P01116-2 95.86 8e-119 X-RAY
 2021-10-13 HIS A:167 A:166 134.0 0.687 -71.3 360.0 134.0 0.687 0.0 HOH
 4.138
 N
 O
7a1x 1 P01116 95.86 8e-119 X-RAY
 2021-10-13 HIS A:167 A:166 69.0 0.354 H -68.2 -37.5 69.0 0.354 0.0 HOH
 2.742
 O
 O
7a1y 1 P01116 95.86 8e-119 X-RAY
 2021-10-13 HIS A:167 A:166 91.0 0.467 H -91.0 -32.8 91.0 0.467 0.0 HOH
 3.246
 ND1
 O
7a47 1 P01116-2 95.86 8e-119 X-RAY
 2021-10-13 HIS A:167 A:166 89.0 0.456 H -67.6 -40.7 89.0 0.456 0.0 HOH
 7.107
 CB
 O
HIS B:167 C:166 91.0 0.467 H -70.0 -37.7 NA NA NA
HIS C:167 E:166 97.0 0.497 H -69.6 -38.1 NA NA NA
6gof 1 P01116 94.77 8e-119 X-RAY
 2019-02-06 HIS A:166 A:166 46.0 0.236 H -61.2 -41.2 46.0 0.236 0.0 HOH
 3.680
 CB
 O
7rov 1 P01116 96.41 9e-119 X-RAY
 2021-09-22 HIS A:167 A:166 106.0 0.544 T -65.0 -39.4 106.0 0.544 0.0 HOH
 3.453
 CD2
 O
HIS B:167 B:166 96.0 0.492 H -69.9 -27.4 NA NA NA
5vp7 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 HIS A:167 A:166 81.0 0.415 H -91.5 -36.2 81.0 0.415 0.0 HOH
 4.829
 N
 O
HIS B:167 F:166 96.0 0.492 H -91.4 -35.8 NA NA NA
5vpi 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 HIS A:167 A:166 65.0 0.333 H -86.8 -31.2 65.0 0.333 0.0 HOH
 3.327
 NE2
 O
HIS B:167 B:166 66.0 0.338 H -81.7 -41.4 NA NA NA
5vpy 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 HIS A:167 A:166 79.0 0.405 H -102.0 -33.0 79.0 0.405 0.0 HOH
 4.012
 NE2
 O
HIS B:167 B:166 74.0 0.379 H -87.0 -36.2 NA NA NA
5vpz 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 HIS A:167 A:166 73.0 0.374 H -91.1 -26.8 73.0 0.374 0.0 HOH
 4.813
 N
 O
HIS B:167 B:166 75.0 0.385 H -90.6 -27.5 NA NA NA
5vq0 1 P01116 95.27 9e-119 X-RAY
 2017-12-06 HIS A:167 A:166 59.0 0.303 H -86.4 -32.9 59.0 0.303 0.0 HOH
 3.269
 NE2
 O
HIS B:167 B:166 58.0 0.297 H -87.3 -35.1 NA NA NA
5ufq 1 P01116 96.99 9e-119 X-RAY
 2017-08-02 HIS A:166 A:166 194.0 NA 60.9 360.0 NA NA NA
HIS B:166 B:166 189.0 NA 65.4 360.0 189.0 NA NA CL
HOH
 9.683
5.803
 CD2
O
 CL
O
6e6f 1 P01116 96.99 9e-119 X-RAY
 2019-07-31 HIS A:166 A:166 145.0 NA -54.2 360.0 145.0 NA NA
HIS B:166 B:166 96.0 NA -66.6 360.0 NA NA NA
6e6g 1 P01116 96.99 9e-119 X-RAY
 2019-07-31 HIS A:166 A:166 126.0 NA -92.4 360.0 126.0 NA NA HOH
 2.856
 O
 O
6ws4 1 P01116 95.27 1e-118 X-RAY
 2021-11-10 HIS A:167 A:166 96.0 0.492 H -63.4 -31.9 96.0 0.492 0.0 HOH
 7.444
 CB
 O
HIS B:167 B:166 96.0 0.492 H -63.4 -32.0 NA NA NA
HIS C:167 C:166 97.0 0.497 H -62.8 -30.1 NA NA NA
HIS D:167 D:166 93.0 0.477 H -62.4 -33.0 NA NA NA
6mqg 1 P01116 95.81 1e-118 X-RAY
 2019-07-31 HIS A:164 A:166 73.0 0.374 H -65.1 -39.7 73.0 0.374 0.0 HOH
 2.589
 HA
 O
5kyk 1 P01116 96.41 1e-118 X-RAY
 2017-04-12 HIS A:167 A:166 77.0 0.395 H -69.7 -13.5 77.0 0.395 0.0
HIS B:167 B:166 77.0 0.395 H -68.5 -24.8 NA NA NA
HIS C:167 C:166 71.0 0.364 H -70.1 -22.9 NA NA NA
5v71 1 P01116 96.41 1e-118 X-RAY
 2017-08-23 HIS A:167 A:166 103.0 0.528 H -58.4 -37.9 103.0 0.528 0.0 HOH
 3.323
 CE1
 O
HIS B:167 B:166 96.0 0.492 H -58.8 -31.5 NA NA NA
HIS C:167 C:166 89.0 0.456 H -65.2 -29.6 NA NA NA
HIS D:167 D:166 100.0 0.513 H -60.5 -31.1 NA NA NA
HIS E:167 E:166 97.0 0.497 H -64.7 -31.1 NA NA NA
HIS F:167 F:166 99.0 0.508 H -60.3 -33.1 NA NA NA
5v9l 1 P01116 96.41 1e-118 X-RAY
 2017-08-23 HIS A:167 A:166 92.0 0.472 H -62.0 -46.6 92.0 0.472 0.0 HOH
 6.721
 CE1
 O
HIS B:167 B:166 96.0 0.492 H -62.3 -38.7 NA NA NA
HIS C:167 C:166 97.0 0.497 H -56.2 -29.8 NA NA NA
5v9o 1 P01116 96.41 1e-118 X-RAY
 2017-08-23 HIS A:167 A:166 80.0 0.41 H -67.8 -40.7 80.0 0.41 0.0 HOH
 3.439
 NE2
 O
7eyx 1 P01116-2 95.83 2e-118 X-RAY
 2021-06-16 HIS A:166 A:166 72.0 NA H -79.3 -43.3 72.0 NA NA HOH
 5.568
 CB
 O
7f0w 1 P01116-2 95.83 2e-118 X-RAY
 2021-06-23 HIS A:166 A:166 75.0 0.385 H -64.7 -44.2 75.0 0.385 0.0 HOH
 2.855
 ND1
 O
4epr 1 P01116 95.27 3e-118 X-RAY
 2012-05-23 HIS A:167 A:166 133.0 0.682 -82.2 360.0 133.0 0.682 0.0 HOH
 3.427
 ND1
 O
6gj5 1 P01116 95.27 3e-118 X-RAY
 2019-07-31 HIS A:167 A:166 114.0 0.585 H -66.2 -26.5 114.0 0.585 0.0 HOH
 3.953
 ND1
 O
HIS B:167 B:166 88.0 0.451 H -69.8 -31.2 NA NA NA
6zl5 1 P01116 95.27 3e-118 X-RAY
 2020-08-19 HIS A:167 A:166 90.0 0.462 H -61.2 -42.8 90.0 0.462 0.0 HOH
 3.556
 N
 O
6w4e 2 P01116 96.39 9e-118 NMR
 2020-04-15 HIS C:166 B:166 57.0 0.292 H -57.3 -34.4 57.0 0.292 0.0
HIS D:166 C:166 63.0 0.323 H -56.8 -45.2 63.0 0.323 0.0
7rsc 1 P01116 96.39 9e-118 NMR
 2021-09-22 HIS A:166 A:166 46.0 0.236 H -65.2 -42.9 46.0 0.236 0.0
HIS B:166 B:166 55.0 0.282 H -66.3 -44.4 55.0 0.282 0.0
7rse 1 P01116 96.39 9e-118 NMR
 2021-09-22 HIS A:166 A:166 43.0 0.221 H -65.2 -47.1 43.0 0.221 0.0
HIS B:166 B:166 51.0 0.262 H -59.0 -45.3 51.0 0.262 0.0
4dsn 1 P01116 96.39 1e-117 X-RAY
 2012-04-25 HIS A:167 A:166 51.0 0.262 H -61.8 -46.0 51.0 0.262 0.0 HOH
 6.153
 CD2
 O
4dso 1 P01116 96.39 1e-117 X-RAY
 2012-04-04 HIS A:167 A:166 37.0 0.19 H -58.2 -47.7 37.0 0.19 0.0 HOH
 3.554
 CD2
 O
4dst 1 P01116 96.39 1e-117 X-RAY
 2012-04-04 HIS A:167 A:166 42.0 0.215 H -70.4 -38.2 42.0 0.215 0.0 ACT
HOH
 4.677
6.701
 CD2
N
 CH3
O
4dsu 1 P01116 96.39 1e-117 X-RAY
 2012-04-04 HIS A:167 A:166 44.0 0.226 H -64.2 -43.7 44.0 0.226 0.0 HOH
 3.911
 NE2
 O
5ocg 1 P01116 96.39 1e-117 X-RAY
 2018-08-22 HIS A:167 A:166 51.0 0.262 H -66.9 -46.4 51.0 0.262 0.0 HOH
 3.539
 NE2
 O
6w4f 2 P01116 96.39 2e-117 NMR
 2020-04-29 HIS C:165 B:166 76.0 0.39 H -62.8 -38.4 76.0 0.39 0.0 PCW
 8.691
 O
 C6
HIS D:165 C:166 39.0 0.2 H -65.8 -35.3 39.0 0.2 0.0 PCW
17F
PCW
PCW
 8.058
9.426
8.142
9.503
 O
CD2
O
O
 O2P
O4
O1P
C6
6wgn 1 P01116 94.08 1e-116 X-RAY
 2020-10-14 HIS A:166 A:166 102.0 0.523 H -85.0 -31.8 102.0 0.523 0.0 HOH
 3.285
 ND1
 O
HIS B:166 B:166 85.0 0.436 H -84.9 -34.7 NA NA NA
HIS C:166 C:166 99.0 0.508 H -65.5 -41.3 NA NA NA
7rpz 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 HIS A:167 A:166 69.0 0.354 H -63.2 -40.3 69.0 0.354 0.0 HOH
 2.714
 O
 O
7rt1 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 HIS A:167 A:166 76.0 0.39 H -60.4 -42.8 76.0 0.39 0.0 HOH
 2.646
 ND1
 O
7rt2 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 HIS A:167 A:166 74.0 0.379 H -60.3 -46.0 74.0 0.379 0.0 HOH
 2.690
 O
 O
7rt3 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 HIS A:167 A:166 74.0 0.379 H -63.1 -41.9 74.0 0.379 0.0 HOH
 2.582
 O
 O
7rt4 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 HIS A:167 A:166 73.0 0.374 H -59.4 -42.6 73.0 0.374 0.0 HOH
 3.643
 CB
 O
7rt5 1 P01116-2 94.08 1e-116 X-RAY
 2021-12-22 HIS A:167 A:166 86.0 0.441 H -62.4 -40.3 86.0 0.441 0.0 HOH
 2.677
 O
 O
6epl 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 HIS A:167 R:166 71.0 0.364 H -71.1 -39.4 71.0 0.364 0.0 HOH
 7.257
 N
 O
6epm 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 HIS A:167 R:166 62.0 0.318 H -67.4 -39.4 62.0 0.318 0.0 HOH
 3.344
 CD2
 O
6epn 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 HIS A:167 R:166 66.0 0.338 H -73.2 -38.4 66.0 0.338 0.0 HOH
 3.330
 CD2
 O
6epo 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 HIS A:167 R:166 64.0 0.328 H -67.5 -43.3 64.0 0.328 0.0 HOH
 3.520
 CD2
 O
6epp 1 P01116 93.49 4e-116 X-RAY
 2019-02-06 HIS A:167 R:166 90.0 0.462 H -64.4 -44.8 90.0 0.462 0.0 HOH
 3.311
 CD2
 O
6t5v 1 P01116 94.08 9e-116 X-RAY
 2020-02-19 HIS A:166 A:166 73.0 0.374 H -65.3 -40.3 73.0 0.374 0.0 HOH
 3.563
 CD2
 O
6oim 1 P01116 94.08 1e-115 X-RAY
 2019-11-06 HIS A:180 A:166 70.0 0.359 H -58.7 -40.0 70.0 0.359 0.0 HOH
 3.104
 NE2
 O
6p8w 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 HIS A:180 A:166 87.0 0.446 H -70.9 -36.7 87.0 0.446 0.0 HOH
 3.047
 NE2
 O
HIS B:180 B:166 77.0 0.395 -62.2 -16.5 NA NA NA
6p8x 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 HIS A:180 A:166 107.0 0.549 H -62.7 -15.9 107.0 0.549 0.0 HOH
 3.522
 CD2
 O
HIS B:180 B:166 96.0 0.492 H -63.3 -27.6 NA NA NA
HIS C:180 C:166 86.0 0.441 H -67.5 -47.1 NA NA NA
HIS D:180 D:166 88.0 0.451 H -67.6 -36.9 NA NA NA
6p8y 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 HIS A:180 A:166 138.0 0.708 -67.3 360.0 138.0 0.708 0.0 HOH
 6.006
 NE2
 O
HIS B:180 B:166 87.0 0.446 H -65.2 -40.1 NA NA NA
6p8z 1 P01116 94.08 1e-115 X-RAY
 2019-08-28 HIS A:180 A:166 87.0 0.446 H -62.9 -38.4 87.0 0.446 0.0 CA
HOH
 8.533
3.635
 CD2
N
 CA
O
HIS B:180 B:166 78.0 0.4 H -60.7 -38.6 NA NA NA
6pgo 1 P01116 94.08 1e-115 X-RAY
 2019-12-25 HIS A:180 A:166 92.0 0.472 H -68.8 -47.4 92.0 0.472 0.0 HOH
 3.406
 ND1
 O
HIS B:180 B:166 65.0 0.333 H -69.9 -50.1 NA NA NA
6pgp 1 P01116 94.08 1e-115 X-RAY
 2019-12-25 HIS A:180 A:166 47.0 0.241 H -68.6 -37.5 47.0 0.241 0.0 HOH
 2.858
 O
 O
HIS B:180 B:166 54.0 0.277 H -66.2 -41.0 NA NA NA
4lrw 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 98.0 0.503 H -77.1 -21.6 98.0 0.503 0.0 HOH
 7.066
 CD2
 O
HIS B:167 B:166 110.0 0.564 H -68.2 -27.8 110.0 0.564 0.0 HOH
 7.747
 CB
 O
4luc 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 69.0 0.354 H -61.1 -41.4 69.0 0.354 0.0 CA
HOH
 7.275
2.372
 HD1
HD2
 CA
O
HIS B:167 B:166 105.0 0.538 H -68.7 -39.1 105.0 0.538 0.0 CA
HOH
 7.423
2.764
 HD1
HD2
 CA
O
4lv6 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 85.0 0.436 H -62.8 -40.1 85.0 0.436 0.0 CA
HOH
 7.179
2.175
 HD1
HD1
 CA
O
HIS B:167 B:166 108.0 0.554 H -71.7 -40.1 108.0 0.554 0.0 CA
HOH
 7.087
2.895
 HD2
HB2
 CA
O
4lyf 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 93.0 0.477 H -62.4 -45.5 93.0 0.477 0.0 HOH
 3.171
 HB2
 O
HIS B:167 B:166 95.0 0.487 H -65.2 -36.1 95.0 0.487 0.0 HOH
 2.800
 HB2
 O
HIS C:167 C:166 113.0 0.579 H -72.4 -37.3 113.0 0.579 0.0 HOH
 3.097
 HB2
 O
4lyh 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 95.0 0.487 H -61.3 -42.1 95.0 0.487 0.0 HOH
 2.862
 HB2
 O
HIS B:167 B:166 66.0 0.338 H -68.3 -40.2 66.0 0.338 0.0 HOH
 3.043
 HB2
 O
HIS C:167 C:166 90.0 0.462 H -63.4 -42.2 90.0 0.462 0.0 HOH
 3.084
 HB2
 O
4lyj 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 135.0 0.692 T -127.9 -14.1 135.0 0.692 0.0 HOH
 2.322
 NE2
 O
4m1o 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 91.0 0.467 H -68.5 -41.9 91.0 0.467 0.0 HOH
 3.204
 HB2
 O
HIS B:167 B:166 83.0 0.426 H -68.0 -49.0 NA NA NA
HIS C:167 C:166 92.0 0.472 H -68.7 -43.4 NA NA NA
4m1s 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 93.0 0.477 H -63.8 -37.5 93.0 0.477 0.0 HOH
 3.073
 HD2
 O
HIS B:167 B:166 84.0 0.431 H -65.3 -45.4 NA NA NA
HIS C:167 C:166 90.0 0.462 H -71.2 -44.0 NA NA NA
4m1t 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 88.0 0.451 H -66.2 -38.5 88.0 0.451 0.0 HOH
 2.559
 HD2
 O
HIS B:167 B:166 80.0 0.41 H -64.1 -51.1 NA NA NA
HIS C:167 C:166 105.0 0.538 H -67.5 -42.0 NA NA NA
4m1w 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 90.0 0.462 H -65.4 -44.7 90.0 0.462 0.0 HOH
 2.814
 HD2
 O
HIS B:167 B:166 85.0 0.436 H -64.4 -45.4 NA NA NA
HIS C:167 C:166 110.0 0.564 H -69.6 -34.0 NA NA NA
4m1y 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 89.0 0.456 H -65.0 -37.9 89.0 0.456 0.0 HOH
 2.748
 HD2
 O
HIS B:167 B:166 75.0 0.385 H -68.3 -43.9 NA NA NA
HIS C:167 C:166 107.0 0.549 H -65.5 -34.0 NA NA NA
4m21 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 88.0 0.451 H -69.1 -27.0 88.0 0.451 0.0 HOH
 4.642
 C
 O
HIS B:167 B:166 86.0 0.441 H -61.3 -53.2 NA NA NA
HIS C:167 C:166 103.0 0.528 H -67.8 -29.6 NA NA NA
4m22 1 P01116 94.08 1e-115 X-RAY
 2013-11-27 HIS A:167 A:166 104.0 0.533 H -66.6 -47.0 104.0 0.533 0.0 HOH
 6.171
 HB2
 O
HIS B:167 B:166 109.0 0.559 H -50.6 -50.3 NA NA NA
HIS C:167 C:166 90.0 0.462 H -57.7 -44.8 NA NA NA
5f2e 1 P01116 94.08 1e-115 X-RAY
 2016-01-13 HIS A:167 A:166 83.0 0.426 -63.0 133.7 83.0 0.426 0.0 GLY
HOH
 6.936
2.547
 O
O
 OXT
O
5v6s 1 P01116 94.08 1e-115 X-RAY
 2017-06-28 HIS A:167 A:166 65.0 0.333 H -64.6 -39.6 65.0 0.333 0.0 HOH
 3.460
 HE2
 O
5v6v 1 P01116 94.08 1e-115 X-RAY
 2017-06-28 HIS A:167 A:166 82.0 0.421 H -69.0 -38.2 82.0 0.421 0.0 CA
HOH
 7.062
2.618
 HD1
HE1
 CA
O
HIS B:167 B:166 95.0 0.487 H -81.1 -34.0 95.0 0.487 0.0 CA
CA
HOH
 6.940
9.575
2.642
 HB2
HD2
HB2
 CA
CA
O
5v9u 1 P01116 94.08 1e-115 X-RAY
 2018-02-07 HIS A:167 A:166 66.0 0.338 H -61.9 -40.2 66.0 0.338 0.0 CA
HOH
 7.841
2.870
 ND1
O
 CA
O
HIS B:167 B:166 84.0 0.431 H -62.6 -39.7 NA NA NA
5yxz 1 P01116 94.08 1e-115 X-RAY
 2018-04-18 HIS A:167 A:166 68.0 0.349 H -58.9 -41.1 68.0 0.349 0.0 HOH
 3.001
 O
 O
5yy1 1 P01116 94.08 1e-115 X-RAY
 2018-04-18 HIS A:167 A:166 75.0 0.385 H -62.8 -42.4 75.0 0.385 0.0 EDO
HOH
 7.923
2.735
 N
O
 O1
O
6ark 1 P01116 94.08 1e-115 X-RAY
 2018-01-31 HIS A:167 A:166 88.0 0.451 H -89.0 -34.0 88.0 0.451 0.0 HOH
 4.931
 O
 O
6b0v 1 P01116 94.08 1e-115 X-RAY
 2018-05-16 HIS A:167 A:166 95.0 0.487 H -74.8 -37.0 95.0 0.487 0.0 CA
HOH
 7.742
2.928
 ND1
O
 CA
O
HIS B:167 B:166 93.0 0.477 H -71.3 -40.8 NA NA NA
6b0y 1 P01116 94.08 1e-115 X-RAY
 2018-05-16 HIS A:167 A:166 99.0 0.508 H -66.8 -37.0 99.0 0.508 0.0 CA
HOH
 7.918
3.342
 CB
O
 CA
O
HIS B:167 B:166 82.0 0.421 H -67.8 -38.1 NA NA NA
6n2j 1 P01116 94.08 1e-115 X-RAY
 2018-12-12 HIS A:167 A:166 67.0 0.344 H -61.8 -44.7 67.0 0.344 0.0 HOH
 2.719
 O
 O
6n2k 1 P01116 94.08 1e-115 X-RAY
 2018-12-12 HIS A:167 A:166 75.0 0.385 H -60.7 -46.7 75.0 0.385 0.0 HOH
 2.828
 ND1
 O
6tam 1 P01116 94.08 1e-115 X-RAY
 2020-04-08 HIS A:167 A:166 62.0 0.318 H -59.6 -43.4 62.0 0.318 0.0 HOH
 3.403
 ND1
 O
6tan 1 P01116 94.08 1e-115 X-RAY
 2020-04-08 HIS A:167 A:166 66.0 0.338 H -60.0 -43.4 66.0 0.338 0.0 HOH
 2.613
 O
 O
6usx 1 P01116 94.08 1e-115 X-RAY
 2020-04-22 HIS A:167 A:166 101.0 0.518 H -62.1 -41.4 101.0 0.518 0.0 HOH
 6.431
 HB2
 O
HIS B:167 B:166 99.0 0.508 H -57.9 -49.9 NA NA NA
6usz 1 P01116 94.08 1e-115 X-RAY
 2020-04-22 HIS A:167 A:166 71.0 0.364 H -64.9 -43.3 71.0 0.364 0.0 HOH
 3.018
 O
 O
6ut0 1 P01116 94.08 1e-115 X-RAY
 2020-04-22 HIS A:167 A:166 69.0 0.354 H -64.2 -40.2 69.0 0.354 0.0 HOH
 2.096
 HE1
 O
HIS B:167 B:166 100.0 0.513 H -56.0 -41.4 NA NA NA
HIS C:167 C:166 68.0 0.349 H -54.6 -47.4 NA NA NA
HIS D:167 D:166 70.0 0.359 H -59.3 -45.4 NA NA NA
6t5u 1 A0A024RAV5 94.61 2e-115 X-RAY
 2020-02-19 HIS A:167 A:166 81.0 0.415 H -89.4 -15.8 81.0 0.415 0.0 HOH
 2.545
 NE2
 O
HIS B:167 B:166 93.0 0.477 -102.0 360.0 NA NA NA
6t5b 1 P01116 93.49 3e-115 X-RAY
 2020-02-26 HIS A:167 A:166 60.0 0.308 H -57.0 -39.7 60.0 0.308 0.0 SO4
HOH
 8.116
2.779
 O
ND1
 O4
O
6mqt 1 P01112 93.37 5e-115 X-RAY
 2020-04-15 HIS A:167 A:166 135.0 0.692 -65.8 360.0 135.0 0.692 0.0 HOH
 3.138
 HA
 O
HIS B:167 B:166 120.0 0.615 -63.1 360.0 NA NA NA
HIS C:167 C:166 123.0 0.631 -71.3 360.0 NA NA NA
HIS D:167 D:166 136.0 0.697 -64.9 360.0 NA NA NA
HIS E:167 E:166 136.0 0.697 -65.8 360.0 NA NA NA
HIS F:167 F:166 134.0 0.687 -62.5 360.0 NA NA NA
HIS G:167 G:166 100.0 0.513 -102.4 360.0 NA NA NA
HIS H:167 H:166 102.0 0.523 -104.4 360.0 NA NA NA
6dzh 1 P01112 93.37 2e-114 X-RAY
 2019-07-10 HIS A:166 A:166 129.0 0.662 -84.9 360.0 129.0 0.662 0.0 HOH
 3.671
 CD2
 O
HIS B:166 B:166 112.0 0.574 -97.1 360.0 NA NA NA
HIS C:166 C:166 142.0 0.728 -58.9 360.0 NA NA NA
6e6c 1 P01112 93.37 2e-114 X-RAY
 2019-07-31 HIS A:166 A:166 149.0 NA -57.0 360.0 149.0 NA NA HOH
 2.957
 OXT
 O
6e6p 1 P01112 93.37 2e-114 X-RAY
 2019-07-31 HIS A:166 A:166 151.0 NA -58.3 360.0 151.0 NA NA GOL
HOH
 7.462
3.913
 N
ND1
 O2
O
HIS B:166 B:166 150.0 NA -75.1 360.0 NA NA NA
HIS C:166 C:166 160.0 NA -82.9 360.0 NA NA NA
1agp 1 P01112 93.37 2e-114 X-RAY
 1994-04-30 HIS A:166 A:166 152.0 NA -65.1 360.0 134.0 NA NA A:P01112:NA
 HOH
 3.225
 HD1
 O
6zj0 1 P01112 93.37 2e-114 X-RAY
 2020-08-19 HIS A:167 A:166 134.0 0.687 -59.1 360.0 134.0 0.687 0.0 HOH
 2.543
 O
 O
421p 1 P01112 93.37 2e-114 X-RAY
 1994-01-31 HIS A:166 A:166 155.0 NA -79.2 360.0 133.0 NA NA A:P01112:NA
 HOH
 4.441
 CA
 O
1clu 1 P01112 93.37 2e-114 X-RAY
 1999-05-28 HIS A:166 A:166 145.0 NA -75.7 360.0 145.0 NA NA HOH
 2.910
 CD2
 O
1jai 1 P01112 93.37 2e-114 X-RAY
 1997-07-23 HIS A:166 A:166 163.0 NA -78.8 360.0 138.0 NA NA A:P01112:NA
 HOH
 3.067
 CD2
 O
1plj 1 P01112 93.37 2e-114 X-RAY
 1994-07-31 HIS A:166 A:166 120.0 0.615 -77.5 360.0 103.0 0.528 0.087 A:P01112:0.087
1pll 1 P01112 93.37 2e-114 X-RAY
 1994-07-31 HIS A:166 A:166 149.0 0.764 -138.2 360.0 127.0 0.651 0.113 A:P01112:0.113
821p 1 P01112 93.37 2e-114 X-RAY
 1994-01-31 HIS A:166 A:166 149.0 NA -77.2 360.0 147.0 NA NA A:P01112:NA
 HOH
 2.023
 HD1
 O
4l9s 1 P01112 93.37 3e-114 X-RAY
 2013-11-27 HIS A:171 A:166 149.0 NA -69.8 360.0 149.0 NA NA NA
HOH
 6.825
2.851
 HD2
HD2
 NA
O
4l9w 1 P01112 93.37 3e-114 X-RAY
 2013-11-27 HIS A:171 A:166 152.0 NA -78.8 360.0 136.0 NA NA A:P01112:NA
 HOH
 3.453
 NE2
 O
7l0g 1 P01112 93.37 3e-114 X-RAY
 2021-03-24 HIS A:167 A:166 142.0 0.728 -62.1 360.0 142.0 0.728 0.0 HOH
 7.123
 CA
 O
HIS B:167 B:166 140.0 0.718 -60.3 360.0 NA NA NA
HIS E:167 NA:NA DO NA DO DO DO NA NA NA
HIS G:167 G:166 141.0 0.723 -59.3 360.0 NA NA NA
1jah 1 P01112 93.37 7e-114 X-RAY
 1997-07-23 HIS A:166 A:166 171.0 NA -69.6 360.0 151.0 NA NA A:P01112:NA
 HOH
 5.512
 ND1
 O
1plk 1 P01112 93.37 7e-114 X-RAY
 1994-07-31 HIS A:166 A:166 NA NA NA NA NA NA NA NA
6e6h 1 P01111 93.37 7e-114 X-RAY
 2019-07-31 TYR A:166 A:166 180.0 NA -66.8 360.0 180.0 NA NA HOH
 2.712
 O
 O
6ms9 1 P01116 96.45 6e-112 X-RAY
 2020-04-15 HIS A:166 C:166 81.0 0.415 H -65.7 -38.5 81.0 0.415 0.0 HOH
 2.978
 HB2
 O
HIS B:166 B:166 80.0 0.41 H -69.6 -37.0 NA NA NA
HIS C:166 A:166 95.0 0.487 H -66.3 -37.5 NA NA NA
6v5l 1 P01116 96.45 6e-112 NMR
 2019-12-18 HIS A:166 A:166 73.0 0.374 H -70.9 -31.3 73.0 0.374 0.0
7lgi 1 P01116 96.45 6e-112 NMR
 2021-07-21 HIS A:166 A:166 79.0 0.405 H -73.3 -25.6 79.0 0.405 0.0
4q21 1 P01112 86.77 7e-112 X-RAY
 1992-07-15 HIS A:166 A:166 84.0 0.431 H -60.3 -24.6 84.0 0.431 0.0 HOH
 3.034
 O
 O
4lpk 1 P01116 96.45 9e-112 X-RAY
 2013-11-27 HIS A:167 A:166 139.0 0.713 -70.5 360.0 139.0 0.713 0.0 HOH
 2.008
 HD1
 O
HIS B:167 B:166 130.0 0.667 -65.3 360.0 NA NA NA
4obe 1 P01116 96.45 9e-112 X-RAY
 2014-06-04 HIS A:167 A:166 74.0 0.379 H -67.8 -42.4 74.0 0.379 0.0 HOH
 2.740
 HD2
 O
HIS B:167 B:166 76.0 0.39 H -63.2 -42.2 NA NA NA
6mbt 1 P01116 96.45 9e-112 X-RAY
 2019-07-31 HIS A:167 A:166 69.0 0.354 H -66.5 -42.2 69.0 0.354 0.0 HOH
 2.614
 HD2
 O
HIS B:167 B:166 71.0 0.364 H -73.0 -44.6 NA NA NA
6mbu 1 P01116 96.45 9e-112 X-RAY
 2019-07-31 HIS A:167 A:166 111.0 0.569 H -65.0 -26.2 111.0 0.569 0.0 HOH
 3.115
 HB2
 O
HIS B:167 B:166 93.0 0.477 H -64.3 -33.1 NA NA NA
6ob2 1 P01116 96.45 9e-112 X-RAY
 2019-10-16 HIS A:167 A:166 97.0 0.497 H -78.3 -17.0 97.0 0.497 0.0
HIS C:167 NA:NA DO NA DO DO DO NA NA NA
6v65 3 P01116 96.45 9e-112 X-RAY
 2020-07-15 HIS C:167 C:166 94.0 0.482 H -70.9 -39.5 94.0 0.482 0.0
6vc8 1 P01116 96.45 9e-112 X-RAY
 2021-02-10 HIS A:167 A:166 88.0 0.451 H -65.3 -38.1 88.0 0.451 0.0
HIS B:167 B:166 91.0 0.467 H -66.2 -47.4 NA NA NA
HIS C:167 C:166 105.0 0.538 H -67.5 -40.9 NA NA NA
6vjj 1 P01116 96.45 9e-112 X-RAY
 2020-11-25 HIS A:167 A:166 98.0 0.503 H -69.5 -26.9 98.0 0.503 0.0 HOH
 3.875
 ND1
 O
6xhb 1 P01116 96.45 9e-112 X-RAY
 2021-01-13 HIS A:167 A:166 84.0 0.431 H -65.6 -31.8 84.0 0.431 0.0 HOH
 6.267
 NE2
 O
6yxw 1 P01116 97.01 1e-111 X-RAY
 2020-07-08 HIS A:169 A:166 73.0 0.374 T -89.3 0.3 73.0 0.374 0.0 HOH
 3.651
 NE2
 O
HIS C:169 C:166 91.0 0.467 H -74.8 -61.8 NA NA NA
7ny8 1 P01116 97.01 1e-111 X-RAY
 2021-07-07 HIS A:169 A:166 93.0 0.477 H -107.5 -7.8 93.0 0.477 0.0 HOH
 2.861
 O
 O
HIS B:169 B:166 130.0 0.667 -55.1 360.0 NA NA NA
4tq9 1 P01116 96.41 1e-111 X-RAY
 2015-06-10 HIS A:167 A:166 78.0 0.4 H -70.4 -46.7 78.0 0.4 0.0 HOH
 2.739
 O
 O
HIS B:167 B:166 77.0 0.395 H -70.0 -45.3 NA NA NA
7q9u 1 P01116-2 97.01 1e-111 X-RAY
 2022-01-26 HIS A:166 AAA:166 44.0 0.226 H -60.0 -43.7 44.0 0.226 0.0 HOH
 5.952
 N
 O
HIS B:166 BBB:166 42.0 0.215 H -62.1 -41.5 NA NA NA
6god 1 P01116 95.35 2e-111 X-RAY
 2019-02-06 HIS A:166 A:166 52.0 0.267 H -64.7 -41.3 52.0 0.267 0.0 HOH
 3.757
 N
 O
5ufe 1 P01116 97.59 2e-111 X-RAY
 2017-08-02 HIS A:166 A:166 86.0 NA 42.9 360.0 86.0 NA NA CA
HOH
 5.217
2.874
 O
O
 CA
O
5uk9 1 P01116 97.59 2e-111 X-RAY
 2018-01-10 HIS A:166 A:166 157.0 NA -95.7 360.0 157.0 NA NA HOH
 2.952
 ND1
 O
HIS B:166 B:166 146.0 NA -86.7 360.0 NA NA NA
5wlb 1 P01116 96.99 2e-111 X-RAY
 2018-01-03 HIS A:166 A:166 147.0 0.754 -82.2 360.0 147.0 0.754 0.0 HOH
 4.789
 ND1
 O
HIS D:166 D:166 167.0 0.856 63.1 360.0 NA NA NA
5wpm 1 P01116 96.99 2e-111 X-RAY
 2018-01-03 HIS A:166 NA:NA DO NA DO DO DO NA NA NA
5uqw 1 P01116 95.86 2e-111 X-RAY
 2017-03-22 HIS A:186 A:166 101.0 0.518 H -59.4 -38.3 101.0 0.518 0.0 HOH
 3.233
 NE2
 O
HIS B:186 B:166 97.0 0.497 H -72.8 -41.2 NA NA NA
6pts 2 P01116 97.01 3e-111 NMR
 2020-05-13 HIS C:166 B:166 53.0 0.272 H -67.3 -53.3 53.0 0.272 0.0 17F
PCW
PCW
PCW
 7.391
9.246
7.365
9.090
 N
N
N
H
 O5
C6
C6
C8
6ptw 2 P01116 97.01 3e-111 NMR
 2020-05-13 HIS C:166 B:166 29.0 0.149 H -61.2 -49.6 29.0 0.149 0.0 PCW
PCW
PCW
 7.854
5.891
7.450
 CE1
O
CE1
 C8
C6
O1P
6yr8 1 P01116 97.59 3e-111 X-RAY
 2020-07-08 HIS A:169 A:166 106.0 0.544 -106.6 360.0 106.0 0.544 0.0 HOH
 3.928
 NE2
 O
5mla 1 P01116 96.99 3e-111 X-RAY
 2017-12-20 HIS A:169 NA:NA DO NA DO DO DO NA NA NA
5mlb 1 P01116 96.99 3e-111 X-RAY
 2017-12-20 HIS A:169 NA:NA DO NA DO DO DO NA NA NA
HIS C:169 NA:NA DO NA DO DO DO NA NA NA
HIS E:169 NA:NA DO NA DO DO DO NA NA NA
HIS G:169 NA:NA DO NA DO DO DO NA NA NA
5o2s 1 P01116 96.99 3e-111 X-RAY
 2017-07-26 HIS A:169 NA:NA DO NA DO DO DO NA NA NA
HIS C:169 NA:NA DO NA DO DO DO NA NA NA
HIS E:169 NA:NA DO NA DO DO DO NA NA NA
HIS G:169 NA:NA DO NA DO DO DO NA NA NA
5o2t 1 P01116 96.99 3e-111 X-RAY
 2017-07-26 HIS A:169 NA:NA DO NA DO DO DO NA NA NA
6h46 1 P01116 96.99 3e-111 X-RAY
 2019-04-24 HIS A:169 A:166 NA NA NA NA NA NA NA NA HOH
 2.746
 NE2
 O
6h47 1 P01116 96.99 3e-111 X-RAY
 2019-04-24 HIS A:169 A:166 164.0 NA -57.2 360.0 164.0 NA NA HOH
 4.426
 CE1
 O
6mnx 1 P01116 95.86 3e-111 X-RAY
 2020-04-15 HIS A:166 A:166 80.0 0.41 H -65.4 -35.3 80.0 0.41 0.0 HOH
 6.003
 HB2
 O
HIS B:166 B:166 94.0 0.482 H -58.8 -51.8 NA NA NA
HIS C:166 C:166 126.0 0.646 -128.1 360.0 NA NA NA
HIS D:166 D:166 112.0 0.574 -108.4 360.0 NA NA NA
HIS E:166 E:166 75.0 0.385 H -52.3 -36.1 NA NA NA
HIS F:166 F:166 79.0 0.405 H -50.7 -33.4 NA NA NA
6ws2 1 P01116 95.86 4e-111 X-RAY
 2021-11-10 HIS A:167 A:166 80.0 0.41 H -64.9 -41.0 80.0 0.41 0.0 HOH
 2.928
 O
 O
HIS B:167 B:166 96.0 0.492 H -64.9 -41.0 NA NA NA
HIS C:167 C:166 94.0 0.482 H -64.4 -41.3 NA NA NA
HIS D:167 D:166 101.0 0.518 H -64.1 -39.8 NA NA NA
6f76 1 P01116 95.86 4e-111 X-RAY
 2018-08-08 HIS A:170 B:166 112.0 0.574 H -68.4 -27.0 112.0 0.574 0.0 HOH
 6.626
 N
 O
HIS B:170 A:166 100.0 0.513 H -69.3 -26.1 100.0 0.513 0.0 HOH
 9.167
 N
 O
HIS C:170 C:166 112.0 0.574 H -69.1 -26.2 112.0 0.574 0.0
HIS D:170 D:166 102.0 0.523 H -68.9 -26.0 102.0 0.523 0.0
HIS E:170 E:166 73.0 0.374 H -68.6 -26.9 73.0 0.374 0.0
HIS F:170 F:166 99.0 0.508 H -68.6 -26.7 99.0 0.508 0.0 HOH
 7.087
 CB
 O
6fa1 1 P01116 95.86 4e-111 X-RAY
 2018-08-22 HIS A:170 B:166 66.0 0.338 H -65.8 -33.5 66.0 0.338 0.0 HOH
 3.597
 CB
 O
6fa1 3 P01116 95.86 4e-111 X-RAY
 2018-08-22 HIS E:170 E:166 73.0 0.374 H -66.3 -32.9 73.0 0.374 0.0 HOH
 7.006
 N
 O
6fa4 1 P01116 95.86 4e-111 X-RAY
 2018-08-22 HIS A:170 B:166 61.0 0.313 H -65.2 -34.6 61.0 0.313 0.0 HOH
 6.965
 N
 O
6fa4 2 P01116 95.86 4e-111 X-RAY
 2018-08-22 HIS B:170 A:166 94.0 0.482 H -65.3 -34.7 NA NA NA
HIS C:170 C:166 95.0 0.487 H -66.0 -34.0 NA NA NA
HIS D:170 D:166 98.0 0.503 H -65.8 -34.3 NA NA NA
HIS E:170 E:166 93.0 0.477 H -65.2 -34.8 NA NA NA
HIS F:170 F:166 95.0 0.487 H -65.2 -34.3 NA NA NA
6goe 1 P01116 95.83 4e-111 X-RAY
 2019-02-06 HIS A:167 A:166 51.0 0.262 H -68.8 -41.7 51.0 0.262 0.0 HOH
 3.765
 N
 O
6cc9 2 P01116 96.41 4e-111 NMR
 2018-09-05 HIS B:168 B:166 51.0 0.262 H -71.8 -38.6 51.0 0.262 0.0 PCW
PCW
PCW
PCW
17F
 7.614
8.498
8.161
6.105
4.573
 O
CE1
HD1
CE1
HD1
 C7
C7
C6
C8
N1
6cch 2 P01116 96.41 4e-111 NMR
 2018-08-29 HIS B:168 B:166 52.0 0.267 H -66.5 -37.5 52.0 0.267 0.0 PCW
 9.661
 HE2
 O2P
6ccx 2 P01116 96.41 4e-111 NMR
 2018-09-05 HIS B:168 B:166 44.0 0.226 H -63.8 -46.1 44.0 0.226 0.0 PCW
PCW
PCW
PCW
17F
 8.026
8.478
9.901
5.834
8.946
 C
O
HD1
HD1
CE1
 C6
C7
C8
C5
O4
2msc 2 P01116 97.01 4e-111 NMR
 2015-06-03 HIS C:168 B:166 82.0 0.421 H -67.0 -37.5 82.0 0.421 0.0 PCW
PCW
PCW
17F
 7.742
8.369
8.379
7.730
 N
N
O
O
 C7
O2P
C7
N1
2msd 2 P01116 97.01 4e-111 NMR
 2015-06-03 HIS C:168 B:166 52.0 0.267 H -84.1 -33.1 52.0 0.267 0.0 PCW
PCW
17F
 9.062
9.852
6.283
 ND1
O
CE1
 C5
O1P
O5
2mse 2 P01116 97.01 4e-111 NMR
 2015-06-03 HIS C:168 B:166 44.0 0.226 H -64.7 -45.8 44.0 0.226 0.0 PCW
PCW
 7.889
7.326
 CE1
ND1
 C8
O11
6bp1 1 P01116 95.86 4e-111 X-RAY
 2018-01-24 HIS A:166 A:166 72.0 0.369 H -58.2 -44.9 72.0 0.369 0.0 HOH
 2.836
 HB2
 O
3gft 1 P01116 95.86 5e-111 X-RAY
 2009-03-10 HIS A:184 A:166 103.0 0.528 H -72.8 -33.9 103.0 0.528 0.0 HOH
 4.056
 CD2
 O
HIS B:184 B:166 98.0 0.503 H -60.9 -36.3 NA NA NA
HIS C:184 C:166 98.0 0.503 H -58.1 -72.5 NA NA NA
HIS D:184 D:166 106.0 0.544 H -62.1 -35.0 NA NA NA
HIS E:184 E:166 93.0 0.477 H -73.1 -48.3 NA NA NA
HIS F:184 F:166 95.0 0.487 H -90.6 -31.2 NA NA NA
5oco 1 P01116 95.86 5e-111 X-RAY
 2018-08-22 HIS A:184 B:166 71.0 0.364 H -69.9 -36.8 71.0 0.364 0.0 HOH
 3.526
 CB
 O
HIS B:184 A:166 96.0 0.492 H -69.6 -37.2 96.0 0.492 0.0 HOH
 3.640
 CB
 O
HIS C:184 C:166 93.0 0.477 H -70.1 -36.3 93.0 0.477 0.0 HOH
 3.730
 CB
 O
HIS D:184 D:166 81.0 0.415 H -71.1 -35.8 81.0 0.415 0.0 HOH
 3.846
 CE1
 O
HIS E:184 E:166 68.0 0.349 H -69.7 -36.9 68.0 0.349 0.0 HOH
 6.927
 N
 O
HIS F:184 F:166 95.0 0.487 H -70.5 -36.5 95.0 0.487 0.0 HOH
 3.633
 CB
 O
5oct 1 P01116 95.86 5e-111 X-RAY
 2018-08-22 HIS A:184 A:166 98.0 0.503 H -64.9 -27.6 98.0 0.503 0.0 HOH
 3.403
 ND1
 O
HIS B:184 B:166 103.0 0.528 H -65.4 -27.7 103.0 0.528 0.0 HOH
 3.195
 ND1
 O
HIS C:184 C:166 103.0 0.528 H -65.2 -27.2 103.0 0.528 0.0 HOH
 6.695
 N
 O
HIS D:184 D:166 89.0 0.456 H -65.2 -26.7 89.0 0.456 0.0 HOH
 3.531
 CD2
 O
HIS E:184 E:166 102.0 0.523 H -65.6 -26.9 102.0 0.523 0.0 HOH
 7.002
 N
 O
HIS F:184 F:166 96.0 0.492 H -65.2 -27.7 96.0 0.492 0.0 HOH
 3.397
 CB
 O
6fa2 1 P01116 96.41 5e-111 X-RAY
 2018-09-05 HIS A:166 A:166 103.0 0.528 H -68.1 -25.3 103.0 0.528 0.0 HOH
 7.367
 CB
 O
6asa 1 P01116 96.41 5e-111 X-RAY
 2018-01-24 HIS A:166 A:166 104.0 0.533 H -65.8 -37.3 104.0 0.533 0.0
6xgu 1 P01116 95.86 5e-111 X-RAY
 2021-01-13 HIS A:167 A:166 73.0 0.374 H -65.5 -25.8 73.0 0.374 0.0
7lc2 1 P01116 95.86 5e-111 X-RAY
 2021-07-28 HIS A:167 A:166 149.0 NA 48.0 360.0 149.0 NA NA HOH
 8.995
 N
 O
HIS B:167 B:166 106.0 NA -48.9 360.0 NA NA NA
6p0z 1 P01116 96.43 5e-111 X-RAY
 2019-07-31 HIS A:165 A:166 83.0 0.426 H -69.5 -47.0 83.0 0.426 0.0 HOH
 2.659
 HD2
 O
HIS B:165 B:166 81.0 0.415 H -67.0 -45.5 NA NA NA
6gog 1 P01116 95.86 6e-111 X-RAY
 2019-02-06 HIS A:170 A:166 98.0 0.503 H -66.2 -35.9 98.0 0.503 0.0 HOH
 3.660
 CD2
 O
HIS B:170 B:166 73.0 0.374 H -65.9 -38.1 73.0 0.374 0.0 HOH
 3.622
 ND1
 O
HIS C:170 C:166 87.0 0.446 H -60.5 -39.2 87.0 0.446 0.0 HOH
 3.279
 CD2
 O
HIS D:170 D:166 94.0 0.482 H -66.9 -35.5 94.0 0.482 0.0 HOH
 2.920
 NE2
 O
HIS E:170 E:166 90.0 0.462 H -66.7 -35.2 90.0 0.462 0.0 HOH
 6.400
 NE2
 O
HIS F:170 F:166 93.0 0.477 H -71.9 -36.2 93.0 0.477 0.0 HOH
 2.993
 O
 O
5vq2 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 HIS A:167 A:166 64.0 0.328 H -87.3 -37.6 64.0 0.328 0.0 HOH
 2.523
 O
 O
HIS B:167 B:166 66.0 0.338 H -91.6 -34.6 NA NA NA
5vq6 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 HIS A:167 A:166 75.0 0.385 H -84.8 -24.3 75.0 0.385 0.0 HOH
 2.476
 O
 O
HIS B:167 B:166 72.0 0.369 H -86.1 -23.9 NA NA NA
5vq8 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 HIS A:167 A:166 62.0 0.318 S -114.6 94.4 62.0 0.318 0.0
HIS B:167 B:166 62.0 0.318 S -113.3 95.3 NA NA NA
5w22 1 P01116 95.86 6e-111 X-RAY
 2017-12-06 HIS A:167 A:166 110.0 0.564 H -93.0 -32.8 110.0 0.564 0.0 HOH
 3.491
 CD2
 O
HIS B:167 B:166 106.0 0.544 H -94.4 -28.8 NA NA NA
6ase 1 P01116 95.86 6e-111 X-RAY
 2018-01-24 HIS A:167 A:166 64.0 0.328 H -62.3 -42.5 64.0 0.328 0.0 HOH
 3.295
 ND1
 O
5wha 1 P01116 96.99 7e-111 X-RAY
 2018-01-03 HIS A:170 A:166 134.0 0.687 -115.4 360.0 134.0 0.687 0.0 HOH
 3.498
 CB
 O
HIS D:170 D:166 137.0 NA -78.3 360.0 NA NA NA
HIS G:170 G:166 175.0 NA -148.0 360.0 NA NA NA
HIS J:170 NA:NA DO NA DO DO DO NA NA NA
5whb 1 P01116 96.99 7e-111 X-RAY
 2018-01-03 HIS A:170 A:166 158.0 NA -95.0 360.0 158.0 NA NA HOH
 4.032
 CA
 O
HIS D:170 D:166 142.0 NA -96.4 360.0 NA NA NA
HIS G:170 G:166 171.0 NA -122.5 360.0 NA NA NA
HIS J:170 J:166 166.0 0.851 -141.7 360.0 NA NA NA
7lc1 1 P01116 95.86 7e-111 X-RAY
 2021-08-04 HIS A:167 A:166 111.0 0.569 H -61.9 -23.1 111.0 0.569 0.0
HIS C:167 C:166 151.0 0.774 84.5 360.0 NA NA NA
4epx 1 P01116 95.27 7e-111 X-RAY
 2012-05-23 HIS A:167 A:166 74.0 0.379 H -68.9 -41.0 74.0 0.379 0.0 HOH
 2.844
 O
 O
4epy 1 P01116 95.27 7e-111 X-RAY
 2012-05-23 HIS A:167 A:166 75.0 0.385 H -70.0 -40.5 75.0 0.385 0.0 HOH
 2.876
 O
 O
6xha 1 P01116-2 95.27 7e-111 X-RAY
 2021-01-13 HIS A:167 A:166 95.0 0.487 H -74.0 -40.2 95.0 0.487 0.0
4ept 1 P01116 95.86 7e-111 X-RAY
 2012-05-23 HIS A:167 A:166 126.0 0.646 -82.5 360.0 126.0 0.646 0.0 HOH
 3.015
 CD2
 O
4epv 1 P01116 95.86 7e-111 X-RAY
 2012-05-23 HIS A:167 A:166 75.0 0.385 H -69.1 -40.7 75.0 0.385 0.0 HOH
 2.813
 O
 O
4epw 1 P01116 95.86 7e-111 X-RAY
 2012-05-23 HIS A:167 A:166 74.0 0.379 H -70.9 -40.3 74.0 0.379 0.0 HOH
 3.251
 CA
 O
6xi7 1 P79800 95.86 7e-111 X-RAY
 2021-01-13 HIS A:167 A:166 104.0 0.533 H -89.9 -38.9 104.0 0.533 0.0 CL
HOH
 4.934
3.435
 CE1
ND1
 CL
O
6fa2 2 P01116 96.41 8e-111 X-RAY
 2018-09-05 HIS B:169 B:166 100.0 0.513 H -67.5 -25.3 NA NA NA
HIS D:169 D:166 103.0 0.528 H -68.3 -24.9 NA NA NA
HIS E:169 E:166 99.0 0.508 H -68.4 -25.0 NA NA NA
HIS F:169 F:166 101.0 0.518 H -67.8 -25.4 NA NA NA
6gqx 2 P01116 96.41 8e-111 X-RAY
 2019-02-06 HIS B:169 B:166 96.0 0.492 H -66.2 -23.1 NA NA NA
6fa1 2 P01116 96.41 8e-111 X-RAY
 2018-08-22 HIS B:170 A:166 96.0 0.492 H -65.8 -33.8 96.0 0.492 0.0 HOH
 3.374
 N
 O
HIS C:170 C:166 94.0 0.482 H -66.5 -33.1 94.0 0.482 0.0 HOH
 3.776
 CB
 O
HIS D:170 D:166 81.0 0.415 H -66.4 -33.2 81.0 0.415 0.0 HOH
 2.897
 NE2
 O
HIS F:170 F:166 93.0 0.477 H -65.8 -33.4 93.0 0.477 0.0 HOH
 3.545
 N
 O
6fa3 1 P01116 96.41 8e-111 X-RAY
 2018-08-22 HIS A:170 B:166 93.0 0.477 H -67.6 -37.8 93.0 0.477 0.0 HOH
 3.890
 CD2
 O
HIS C:170 C:166 92.0 0.472 H -68.2 -37.1 NA NA NA
HIS D:170 D:166 79.0 0.405 H -67.6 -37.5 NA NA NA
HIS E:170 E:166 92.0 0.472 H -67.5 -37.6 NA NA NA
HIS F:170 F:166 94.0 0.482 H -67.3 -37.2 NA NA NA
6fa3 2 P01116 96.41 8e-111 X-RAY
 2018-08-22 HIS B:170 A:166 85.0 0.436 H -67.2 -37.5 NA NA NA
6gom 1 P01116 96.41 8e-111 X-RAY
 2019-02-06 HIS A:170 A:166 95.0 0.487 H -69.5 -35.3 95.0 0.487 0.0 HOH
 3.609
 CD2
 O
HIS B:170 B:166 94.0 0.482 H -68.8 -36.0 NA NA NA
HIS C:170 C:166 98.0 0.503 H -68.8 -35.3 NA NA NA
HIS D:170 D:166 96.0 0.492 H -70.0 -34.7 NA NA NA
HIS E:170 E:166 97.0 0.497 H -68.6 -35.5 NA NA NA
HIS F:170 F:166 99.0 0.508 H -69.1 -35.4 NA NA NA
6gqt 1 P01116 96.41 9e-111 X-RAY
 2019-02-06 HIS A:169 A:166 100.0 0.513 H -71.7 -41.1 100.0 0.513 0.0 HOH
 3.662
 ND1
 O
HIS B:169 B:166 96.0 0.492 H -69.4 -36.5 NA NA NA
HIS C:169 C:166 97.0 0.497 H -69.5 -35.8 NA NA NA
HIS D:169 D:166 103.0 0.528 H -70.4 -34.5 NA NA NA
HIS E:169 E:166 103.0 0.528 H -68.9 -36.2 NA NA NA
HIS F:169 F:166 104.0 0.533 H -69.8 -35.6 NA NA NA
6m9w 1 P01116 96.43 1e-110 X-RAY
 2019-07-31 HIS A:167 A:166 72.0 0.369 H -61.7 -42.4 72.0 0.369 0.0 HOH
 2.510
 HA
 O
4wa7 1 P01116 95.86 1e-110 X-RAY
 2015-06-10 HIS A:167 A:166 89.0 0.456 H -65.4 -45.1 89.0 0.456 0.0 HOH
 2.586
 O
 O
6v6f 3 P01116 95.86 1e-110 X-RAY
 2020-07-15 HIS C:167 C:166 90.0 0.462 H -71.3 -26.3 90.0 0.462 0.0 HOH
 4.190
 CB
 O
6fa2 3 P01116 96.41 1e-110 X-RAY
 2018-09-05 HIS C:170 C:166 101.0 0.518 H -68.2 -25.1 NA NA NA
6gqw 1 P01116 96.41 1e-110 X-RAY
 2019-02-06 HIS A:170 A:166 102.0 0.523 T -69.2 -6.4 102.0 0.523 0.0
HIS B:170 B:166 96.0 0.492 T -68.4 -6.9 NA NA NA
HIS C:170 C:166 100.0 0.513 T -68.7 -6.4 NA NA NA
HIS D:170 D:166 105.0 0.538 T -69.1 -6.5 NA NA NA
HIS F:170 F:166 96.0 0.492 T -68.6 -6.2 NA NA NA
6gqx 1 P01116 96.41 1e-110 X-RAY
 2019-02-06 HIS A:170 A:166 97.0 0.497 H -66.6 -23.1 97.0 0.497 0.0 HOH
 3.843
 CD2
 O
HIS C:170 C:166 99.0 0.508 H -67.3 -22.1 NA NA NA
HIS D:170 D:166 99.0 0.508 H -67.1 -22.1 NA NA NA
HIS E:170 E:166 96.0 0.492 H -66.5 -23.0 NA NA NA
HIS F:170 F:166 97.0 0.497 H -66.9 -22.5 NA NA NA
6gqy 1 P01116 96.41 1e-110 X-RAY
 2019-02-06 HIS A:170 A:166 102.0 0.523 T -61.7 -13.2 102.0 0.523 0.0 HOH
 8.159
 C
 O
HIS B:170 B:166 97.0 0.497 T -61.1 -13.6 NA NA NA
HIS C:170 C:166 100.0 0.513 T -61.7 -12.5 NA NA NA
HIS D:170 D:166 101.0 0.518 T -61.8 -13.4 NA NA NA
HIS E:170 E:166 98.0 0.503 T -61.7 -12.9 NA NA NA
HIS F:170 F:166 99.0 0.508 T -61.2 -13.6 NA NA NA
6mta 1 P01116 95.86 1e-110 X-RAY
 2020-04-15 HIS A:166 A:166 94.0 0.482 H -67.1 -43.9 94.0 0.482 0.0 HOH
 7.267
 CB
 O
HIS B:166 B:166 129.0 0.662 -116.5 360.0 NA NA NA
HIS C:166 C:166 69.0 0.354 T -64.9 171.3 NA NA NA
6bof 1 P01116 95.83 3e-110 X-RAY
 2019-05-22 HIS A:165 A:166 68.0 0.349 H -65.1 -40.6 68.0 0.349 0.0 HOH
 2.874
 HB2
 O
HIS B:165 B:166 68.0 0.349 H -62.9 -41.7 NA NA NA
6o36 1 P01116 96.41 3e-110 X-RAY
 2020-02-26 HIS A:166 A:166 89.0 0.456 H -70.2 -33.9 89.0 0.456 0.0 HOH
 3.469
 CB
 O
HIS B:166 B:166 86.0 0.441 H -64.5 -37.4 NA NA NA
HIS C:166 C:166 91.0 0.467 H -75.7 -35.8 NA NA NA
6mbq 1 P01116 97.58 3e-110 X-RAY
 2019-07-31 HIS A:167 A:166 112.0 NA -101.6 360.0 112.0 NA NA HOH
 4.008
 CB
 O
5tar 1 P01116 96.99 5e-110 X-RAY
 2016-11-02 HIS A:166 A:166 46.0 0.236 H -60.8 -49.4 46.0 0.236 0.0 HOH
 7.863
 C
 O
5tb5 1 P01116 96.99 5e-110 X-RAY
 2016-11-02 HIS A:166 A:166 38.0 0.195 H -65.3 -46.5 38.0 0.195 0.0 HOH
 3.681
 N
 O
HIS C:166 C:166 65.0 0.333 H -68.6 -36.4 NA NA NA
6o46 1 P01116 96.41 5e-110 X-RAY
 2020-03-11 HIS A:167 A:166 88.0 0.451 H -60.8 -41.7 88.0 0.451 0.0 HOH
 3.639
 N
 O
HIS B:167 B:166 80.0 0.41 H -59.8 -31.6 NA NA NA
HIS C:167 C:166 86.0 0.441 H -55.6 -50.9 NA NA NA
5vq1 1 P01116 95.27 5e-110 X-RAY
 2017-12-06 HIS A:167 A:166 68.0 0.349 H -108.9 -25.4 68.0 0.349 0.0 HOH
 4.167
 CD2
 O
HIS B:167 B:166 61.0 0.313 H -89.9 -37.3 NA NA NA
6gqw 2 P01116 95.81 6e-110 X-RAY
 2019-02-06 HIS E:170 E:166 103.0 0.528 T -68.7 -6.5 NA NA NA
7kmr 1 P01116 96.41 8e-110 X-RAY
 2021-11-10 HIS A:191 A:166 51.0 0.262 H -64.2 -43.4 51.0 0.262 0.0 HOH
 3.551
 NE2
 O
5whd 1 P01116 96.39 1e-109 X-RAY
 2018-01-03 HIS A:170 NA:NA DO NA DO DO DO NA NA NA
HIS B:170 B:166 143.0 NA -70.7 360.0 NA NA NA
HIS C:170 C:166 153.0 NA -104.8 360.0 NA NA NA
HIS D:170 D:166 146.0 NA -100.8 360.0 NA NA NA
5whe 1 P01116 96.39 1e-109 X-RAY
 2018-01-03 HIS A:170 A:166 148.0 NA -62.2 360.0 148.0 NA NA HOH
 3.253
 OXT
 O
HIS B:170 D:166 168.0 NA -77.4 360.0 NA NA NA
HIS C:170 G:166 188.0 NA 63.1 360.0 NA NA NA
HIS D:170 J:166 146.0 NA -62.3 360.0 NA NA NA
4q01 1 P01116 94.67 1e-109 X-RAY
 2014-09-10 HIS A:166 A:166 128.0 0.656 -78.3 360.0 128.0 0.656 0.0 HOH
 2.324
 HB3
 O
HIS B:166 B:166 84.0 0.431 H -57.6 -41.1 NA NA NA
1ioz 1 P01112 92.4 2e-109 X-RAY
 2001-10-03 HIS A:166 A:166 69.0 0.354 H -61.3 -43.0 69.0 0.354 0.0 HOH
 2.858
 O
 O
1q21 1 P01112 92.4 2e-109 X-RAY
 1992-07-15 HIS A:166 A:166 71.0 0.364 H -60.6 -38.0 71.0 0.364 0.0 HOH
 3.441
 CA
 O
6q21 1 P01112 92.4 2e-109 X-RAY
 1992-07-28 HIS A:166 A:166 59.0 0.303 H -58.4 -42.4 59.0 0.303 0.0 HOH
 2.786
 CD2
 O
HIS B:166 B:166 37.0 0.19 H -65.6 -20.4 37.0 0.19 0.0 HOH
 2.992
 CE1
 O
HIS C:166 C:166 49.0 0.251 H -59.2 -30.1 49.0 0.251 0.0 HOH
 3.363
 CB
 O
HIS D:166 D:166 72.0 0.369 H -56.1 -41.5 72.0 0.369 0.0 HOH
 2.744
 ND1
 O
2q21 1 P01112 91.81 2e-109 X-RAY
 1992-07-15 HIS A:166 A:166 71.0 0.364 H -59.4 -41.1 71.0 0.364 0.0 HOH
 3.511
 CA
 O
4pzz 1 P01116 94.67 2e-109 X-RAY
 2014-09-10 HIS A:167 A:166 74.0 0.379 H -69.5 -40.6 74.0 0.379 0.0 HOH
 2.301
 HD2
 O
4q02 1 P01116 94.67 2e-109 X-RAY
 2014-09-10 HIS A:167 A:166 74.0 0.379 H -67.5 -42.5 74.0 0.379 0.0 HOH
 2.917
 ND1
 O
4q03 1 P01116 94.67 2e-109 X-RAY
 2014-09-10 HIS A:167 A:166 74.0 0.379 H -67.1 -43.6 74.0 0.379 0.0 HOH
 2.456
 HA
 O
3con 1 P01111 92.44 3e-109 X-RAY
 2008-04-08 TYR A:184 A:166 138.0 0.6 H -60.0 -41.4 138.0 0.6 0.0 HOH
 3.300
 CD2
 O
4pzy 1 P01116 94.67 4e-109 X-RAY
 2014-09-10 HIS A:167 A:166 76.0 0.39 H -61.0 -41.6 57.0 0.292 0.098 B:P01116:0.097
 HOH
 3.032
 NE2
 O
HIS B:167 B:166 91.0 0.467 H -43.7 -47.3 69.0 0.354 0.113 A:P01116:0.113
 HOH
 3.282
 CB
 O
6zio 1 P01111 91.86 3e-108 X-RAY
 2020-08-19 TYR A:167 A:166 102.0 0.443 H -69.8 -28.3 102.0 0.443 0.0 HOH
 2.730
 OH
 O
TYR B:167 B:166 118.0 0.513 H -72.8 -28.7 118.0 0.513 0.0 HOH
 4.147
 OH
 O
6zir 1 P01111 91.86 3e-108 X-RAY
 2020-08-19 TYR A:167 A:166 88.0 0.383 H -62.3 -46.2 88.0 0.383 0.0 EZZ
HOH
 8.570
3.018
 N
OH
 C2
O
6amb 1 P01112 93.45 4e-108 X-RAY
 2017-11-01 HIS A:168 A:166 116.0 0.595 T -125.0 20.6 116.0 0.595 0.0 HOH
 4.318
 N
 O
5wpl 1 P01112 93.98 5e-108 X-RAY
 2018-01-03 HIS A:166 A:166 150.0 NA -81.4 360.0 150.0 NA NA HOH
 4.155
 CA
 O
HIS D:166 D:166 158.0 NA -125.3 360.0 NA NA NA
HIS G:166 NA:NA DO NA DO DO DO NA NA NA
HIS J:166 J:166 156.0 NA -67.5 360.0 NA NA NA
6pq3 1 P01116 90.5 1e-107 X-RAY
 2020-05-20 HIS A:177 A:176 71.0 0.364 T -70.1 -4.3 71.0 0.364 0.0 HOH
 6.487
 CD2
 O
6ziz 1 P01111 91.28 1e-107 X-RAY
 2020-08-19 TYR A:167 A:166 57.0 0.248 H -58.3 -43.9 57.0 0.248 0.0 HOH
 2.815
 OH
 O
TYR B:167 B:166 95.0 0.413 H -57.4 -44.1 NA NA NA
7l0f 1 P01112 93.98 3e-107 X-RAY
 2021-03-24 HIS A:167 E:166 140.0 0.718 -82.7 360.0 140.0 0.718 0.0 HOH
 3.885
 CB
 O
HIS C:167 A:166 130.0 0.667 -83.7 360.0 NA NA NA
HIS E:167 G:166 127.0 0.651 -83.9 360.0 NA NA NA
HIS G:167 L:166 130.0 0.667 -83.1 360.0 NA NA NA
6axg 2 P01112 93.98 3e-107 X-RAY
 2017-10-11 HIS B:170 B:166 143.0 0.733 -80.7 360.0 143.0 0.733 0.0
HIS D:170 D:166 146.0 0.749 -103.9 360.0 NA NA NA
HIS F:170 F:166 163.0 0.836 -158.5 360.0 NA NA NA
HIS H:170 H:166 130.0 0.667 -74.1 360.0 NA NA NA
HIS J:170 J:166 143.0 0.733 -93.2 360.0 NA NA NA
HIS L:170 L:166 146.0 0.749 -66.5 360.0 NA NA NA
5e95 2 P01112 93.98 3e-107 X-RAY
 2016-11-02 HIS B:168 A:166 144.0 NA -57.7 360.0 144.0 NA NA HOH
 2.655
 O
 O
5vbm 1 P01116 94.08 3e-107 X-RAY
 2017-10-25 HIS A:167 A:166 65.0 0.333 H -64.9 -42.1 65.0 0.333 0.0 HOH
 2.755
 O
 O
5x9s 1 P01112 87.03 4e-107 X-RAY
 2017-08-30 HIS A:172 A:166 144.0 0.738 -72.3 360.0 144.0 0.738 0.0 HOH
 3.615
 C
 O
1he8 2 P23175 93.37 4e-107 X-RAY
 2001-01-08 HIS B:166 B:166 140.0 NA -118.5 360.0 140.0 NA NA
1rvd 1 P01112 93.37 4e-107 X-RAY
 1999-05-28 HIS A:166 A:166 149.0 NA -77.9 360.0 149.0 NA NA HOH
 7.057
 CD2
 O
2uzi 3 P01112 93.37 4e-107 X-RAY
 2007-06-26 HIS C:166 R:166 98.0 0.503 -96.8 360.0 98.0 0.503 0.0 ZN
ZN
HOH
 2.774
2.054
3.378
 O
NE2
CE1
 ZN
ZN
O
2vh5 3 P01112 93.37 4e-107 X-RAY
 2008-01-22 HIS C:166 R:166 83.0 0.426 -94.3 360.0 83.0 0.426 0.0 ZN
HOH
 2.941
8.586
 O
N
 ZN
O
3oiv 1 P01112 93.37 4e-107 X-RAY
 2010-12-08 HIS A:166 A:166 122.0 NA -89.8 360.0 122.0 NA NA HOH
 3.354
 NE2
 O
3oiw 1 P01112 93.37 4e-107 X-RAY
 2010-12-08 HIS A:166 A:166 157.0 NA -82.2 360.0 157.0 NA NA CA
ACT
HOH
 9.032
8.178
2.673
 ND1
CE1
ND1
 CA
O
O
121p 1 P01112 93.98 4e-107 X-RAY
 1994-01-31 HIS A:166 A:166 154.0 NA -78.3 360.0 130.0 NA NA A:P01112:NA
 HOH
 2.794
 CD2
 O
1bkd 1 P01112 93.98 4e-107 X-RAY
 1999-01-13 HIS A:166 R:166 131.0 0.672 -119.2 360.0 131.0 0.672 0.0 HOH
 5.582
 CE1
 O
1ctq 1 P01112 93.98 4e-107 X-RAY
 1999-11-15 HIS A:166 A:166 133.0 0.682 -78.6 360.0 133.0 0.682 0.0 HOH
 3.438
 CA
 O
1gnp 1 P01112 93.98 4e-107 X-RAY
 1995-07-31 HIS A:166 A:166 157.0 NA -96.2 360.0 142.0 NA NA A:P01112:NA
1gnq 1 P01112 93.98 4e-107 X-RAY
 1995-07-31 HIS A:166 A:166 162.0 NA -167.3 360.0 149.0 NA NA A:P01112:NA
1gnr 1 P01112 93.98 4e-107 X-RAY
 1995-07-31 HIS A:166 A:166 156.0 NA -78.6 360.0 134.0 NA NA A:P01112:NA
 HOH
 2.922
 ND1
 O
1k8r 1 P01112 93.98 4e-107 X-RAY
 2002-03-13 HIS A:166 A:166 111.0 0.569 -145.9 360.0 111.0 0.569 0.0
1nvv 2 P01112 93.98 4e-107 X-RAY
 2003-04-01 HIS B:166 R:166 149.0 NA -75.8 360.0 149.0 NA NA HOH
 3.742
 N
 O
1nvw 1 P01112 93.98 4e-107 X-RAY
 2003-04-01 HIS A:166 Q:166 145.0 NA -84.4 360.0 145.0 NA NA
HIS B:166 R:166 143.0 NA -89.1 360.0 143.0 NA NA HOH
 7.189
 CB
 O
1p2s 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 HIS A:166 A:166 142.0 NA -73.8 360.0 142.0 NA NA ETF
HOH
 9.976
2.844
 NE2
CD2
 F1
O
1p2t 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 HIS A:166 A:166 151.0 NA -74.4 360.0 151.0 NA NA HOH
 3.079
 CD2
 O
1p2u 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 HIS A:166 A:166 142.0 NA -72.9 360.0 142.0 NA NA IPA
IPA
HOH
 4.271
7.663
2.572
 C
NE2
O
 O2
C3
O
1p2v 1 P01112 93.98 4e-107 X-RAY
 2003-08-05 HIS A:166 A:166 121.0 NA -65.0 360.0 121.0 NA NA HOH
 2.907
 ND1
 O
1qra 1 P01112 93.98 4e-107 X-RAY
 1999-11-05 HIS A:166 A:166 133.0 0.682 -66.0 360.0 133.0 0.682 0.0 HOH
 2.588
 O
 O
1wq1 1 P01112 93.98 4e-107 X-RAY
 1998-07-15 HIS A:166 R:166 144.0 NA -135.9 360.0 144.0 NA NA
1xd2 2 P01112 93.98 4e-107 X-RAY
 2004-11-02 HIS B:166 B:166 136.0 NA -68.9 360.0 136.0 NA NA
2rge 1 P01112 93.98 4e-107 X-RAY
 2007-12-18 HIS A:166 A:166 145.0 NA -69.6 360.0 145.0 NA NA HOH
 3.733
 CD2
 O
3k8y 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 HIS A:166 A:166 137.0 NA -103.0 360.0 137.0 NA NA CA
ACT
HOH
 6.588
6.560
3.390
 NE2
NE2
CB
 CA
O
O
3kud 1 P01112 93.98 4e-107 X-RAY
 2010-03-23 HIS A:166 NA:NA DO NA DO DO DO NA NA NA
3l8y 1 P01112 93.98 4e-107 X-RAY
 2011-01-05 HIS A:166 A:166 148.0 NA -76.2 360.0 148.0 NA NA YCN
ZN
HOH
 2.975
2.166
3.865
 NE2
NE2
CB
 N3
ZN
O
3l8z 1 P01112 93.98 4e-107 X-RAY
 2011-01-05 HIS A:166 A:166 163.0 NA -74.5 360.0 163.0 NA NA HOH
 2.865
 CE1
 O
3lbh 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 HIS A:166 A:166 161.0 NA -87.8 360.0 161.0 NA NA CA
ACT
HOH
 8.606
7.658
3.652
 CE1
CE1
CB
 CA
O
O
3lbi 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 HIS A:166 A:166 143.0 NA -101.7 360.0 143.0 NA NA CA
ACT
HOH
 6.675
6.847
3.366
 NE2
NE2
CE1
 CA
O
O
3lbn 1 P01112 93.98 4e-107 X-RAY
 2010-03-02 HIS A:166 A:166 159.0 NA -82.7 360.0 159.0 NA NA MG
HOH
 8.782
4.992
 N
N
 MG
O
3rry 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 154.0 NA -61.1 360.0 154.0 NA NA HOH
 2.691
 ND1
 O
3rrz 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 124.0 0.636 -87.5 360.0 124.0 0.636 0.0 GOL
HOH
 5.574
4.646
 O
ND1
 O3
O
3rs0 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 153.0 NA -72.4 360.0 153.0 NA NA HOH
 2.684
 CD2
 O
3rs2 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 154.0 NA -68.6 360.0 154.0 NA NA HOH
 2.864
 ND1
 O
3rs3 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 154.0 NA -69.2 360.0 154.0 NA NA HOH
 3.932
 N
 O
3rs4 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 157.0 NA -64.5 360.0 157.0 NA NA HOH
 3.011
 ND1
 O
3rs5 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 123.0 NA -93.3 360.0 123.0 NA NA DMF
HOH
 3.562
3.358
 NE2
NE2
 C
O
3rs7 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 151.0 NA -74.4 360.0 151.0 NA NA HOH
 2.799
 CD2
 O
3rsl 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 107.0 0.549 -99.4 360.0 107.0 0.549 0.0 HOH
 4.004
 CE1
 O
3rso 1 P01112 93.98 4e-107 X-RAY
 2011-09-21 HIS A:166 A:166 123.0 NA -94.0 360.0 123.0 NA NA HOH
 3.672
 NE2
 O
3tgp 1 P01112 93.98 4e-107 X-RAY
 2011-10-12 HIS A:166 A:166 151.0 0.774 -67.1 360.0 151.0 0.774 0.0 HOH
 2.107
 HD1
 O
4dls 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 HIS A:166 A:166 126.0 NA -95.3 360.0 126.0 NA NA HOH
 3.444
 NE2
 O
4dlt 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 HIS A:166 A:166 134.0 NA -103.5 360.0 134.0 NA NA CA
ACT
HOH
 6.666
6.641
3.521
 NE2
NE2
NE2
 CA
O
O
4dlu 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 HIS A:166 A:166 126.0 NA -103.6 360.0 126.0 NA NA CA
ACT
HOH
 6.653
6.661
3.024
 NE2
NE2
O
 CA
O
O
4dlw 1 P01112 93.98 4e-107 X-RAY
 2012-08-08 HIS A:166 A:166 125.0 NA -100.8 360.0 125.0 NA NA CA
ACT
HOH
 6.710
6.700
3.441
 NE2
NE2
NE2
 CA
O
O
4g0n 1 P01112 93.98 4e-107 X-RAY
 2013-07-17 HIS A:166 A:166 108.0 0.554 -107.9 360.0 108.0 0.554 0.0 CA
ACT
HOH
 6.489
6.635
3.259
 NE2
NE2
CB
 CA
O
O
4nyj 2 P01112 93.98 4e-107 X-RAY
 2014-03-12 HIS B:166 R:166 156.0 NA -84.6 360.0 156.0 NA NA HOH
 5.768
 O
 O
4nym 2 P01112 93.98 4e-107 X-RAY
 2014-03-12 HIS B:166 R:166 142.0 NA -97.6 360.0 142.0 NA NA
4rsg 1 P01112 93.98 4e-107 NEUTRON DIFFRACTION
 2015-11-04 HIS A:166 A:166 153.0 NA -67.6 360.0 153.0 NA NA DOD
DOD
DOD
DOD
DOD
DOD
DOD
DOD
DOD
 7.646
5.725
2.246
6.175
5.851
4.854
8.175
5.478
7.680
 HB3
HB2
ND1
HE1
HE1
HE1
HA
HA
HA
 O
D2
D2
D1
O
D2
D2
O
O
5p21 1 P01112 93.98 4e-107 X-RAY
 1992-01-15 HIS A:166 A:166 157.0 NA -82.8 360.0 145.0 NA NA A:P01112:NA
 HOH
 3.071
 CD2
 O
4k81 2 P01112 93.37 4e-107 X-RAY
 2013-09-04 HIS B:171 B:166 134.0 0.687 -101.6 360.0 134.0 0.687 0.0 HOH
 7.908
 CB
 O
HIS D:171 D:166 135.0 0.692 -59.8 360.0 NA NA NA
HIS F:171 F:166 137.0 0.703 -88.7 360.0 NA NA NA
HIS H:171 H:166 122.0 0.626 -80.0 360.0 NA NA NA
6kyh 2 Q61411 93.41 5e-107 X-RAY
 2019-12-04 HIS E:170 F:166 125.0 0.641 H -61.0 -44.6 NA NA NA
HIS F:170 G:166 112.0 0.574 -63.1 360.0 NA NA NA
HIS G:170 H:166 93.0 0.477 -68.0 360.0 NA NA NA
HIS H:170 E:166 155.0 0.795 -118.8 360.0 155.0 0.795 0.0
4nyi 2 P01112 93.98 5e-107 X-RAY
 2014-03-12 HIS B:167 R:166 147.0 NA -74.9 360.0 147.0 NA NA HOH
 6.751
 CD2
 O
5wfo 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 HIS A:167 Q:166 146.0 NA -63.4 360.0 146.0 NA NA HOH
 2.495
 O
 O
HIS B:167 R:166 147.0 NA -65.9 360.0 147.0 NA NA HOH
 2.897
 O
 O
5wfp 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 HIS A:167 Q:166 145.0 NA -67.9 360.0 145.0 NA NA HOH
 3.008
 O
 O
HIS B:167 R:166 143.0 NA -67.0 360.0 143.0 NA NA HOH
 2.677
 CD2
 O
5wfq 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 HIS A:167 Q:166 145.0 NA -67.7 360.0 145.0 NA NA HOH
 2.888
 O
 O
HIS B:167 R:166 146.0 NA -67.1 360.0 146.0 NA NA HOH
 2.800
 CD2
 O
5wfr 1 P01112 93.98 5e-107 X-RAY
 2018-05-23 HIS A:167 Q:166 143.0 NA -62.1 360.0 143.0 NA NA HOH
 2.888
 O
 O
HIS B:167 R:166 144.0 NA -74.7 360.0 144.0 NA NA HOH
 6.299
 ND1
 O
6bvi 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 HIS C:167 C:166 149.0 NA -63.4 360.0 149.0 NA NA HOH
 2.744
 O
 O
6bvj 1 P01112 93.98 5e-107 X-RAY
 2018-10-24 HIS A:167 A:166 148.0 NA -67.2 360.0 148.0 NA NA HOH
 2.492
 O
 O
6bvj 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 HIS C:167 C:166 148.0 NA -63.9 360.0 148.0 NA NA HOH
 2.989
 CD2
 O
6bvk 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 HIS C:167 C:166 147.0 NA -64.0 360.0 147.0 NA NA HOH
 2.762
 OXT
 O
6bvl 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 HIS C:167 C:166 148.0 NA -64.6 360.0 148.0 NA NA HOH
 2.944
 CD2
 O
6bvm 3 P01112 93.98 5e-107 X-RAY
 2018-10-24 HIS C:167 C:166 149.0 NA -66.1 360.0 149.0 NA NA HOH
 3.002
 CD2
 O
6cuo 3 P01112 93.98 5e-107 X-RAY
 2019-02-06 HIS C:167 C:166 148.0 NA -63.7 360.0 148.0 NA NA HOH
 2.920
 O
 O
6cup 3 P01112 93.98 5e-107 X-RAY
 2019-02-06 HIS C:167 C:166 148.0 NA -62.5 360.0 148.0 NA NA HOH
 2.785
 CD2
 O
6cur 3 P01112 93.98 5e-107 X-RAY
 2019-02-06 HIS C:167 C:166 150.0 NA -63.8 360.0 150.0 NA NA HOH
 2.847
 CD2
 O
6d55 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 149.0 NA -60.9 360.0 149.0 NA NA HOH
 2.874
 OXT
 O
6d56 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 151.0 NA -61.5 360.0 151.0 NA NA HOH
 2.982
 CD2
 O
6d59 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 152.0 NA -60.9 360.0 152.0 NA NA HOH
 2.956
 O
 O
6d5e 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 150.0 NA -62.3 360.0 150.0 NA NA HOH
 2.982
 CD2
 O
6d5g 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 145.0 NA -64.5 360.0 145.0 NA NA HOH
 2.900
 CD2
 O
6d5h 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 150.0 NA -63.0 360.0 150.0 NA NA HOH
 2.984
 CD2
 O
6d5j 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 148.0 NA -60.8 360.0 148.0 NA NA HOH
 2.728
 OXT
 O
6d5l 3 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS C:167 C:166 149.0 NA -63.6 360.0 149.0 NA NA HOH
 3.022
 O
 O
6d5m 2 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS B:167 R:166 145.0 NA -69.2 360.0 145.0 NA NA HOH
 2.568
 OXT
 O
6d5v 2 P01112 93.98 5e-107 X-RAY
 2018-09-19 HIS B:167 R:166 147.0 NA -65.7 360.0 147.0 NA NA HOH
 2.760
 CD2
 O
6d5w 2 P01112 93.98 5e-107 X-RAY
 2019-03-27 HIS B:167 R:166 143.0 NA -69.5 360.0 143.0 NA NA HOH
 7.191
 CB
 O
6v94 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 HIS C:167 C:166 148.0 NA -66.5 360.0 148.0 NA NA HOH
 2.959
 CD2
 O
6v9f 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 HIS C:167 C:166 148.0 NA -63.5 360.0 148.0 NA NA HOH
 2.698
 OXT
 O
6v9j 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 HIS C:167 C:166 148.0 NA -64.5 360.0 148.0 NA NA HOH
 2.892
 O
 O
6v9l 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 HIS C:167 C:166 149.0 NA -63.1 360.0 149.0 NA NA HOH
 3.002
 CD2
 O
6v9m 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 HIS C:167 C:166 150.0 NA -59.8 360.0 150.0 NA NA HOH
 2.914
 O
 O
6v9n 3 P01112 93.98 5e-107 X-RAY
 2020-08-26 HIS C:167 C:166 149.0 NA -64.8 360.0 149.0 NA NA HOH
 2.935
 O
 O
6v9o 3 P01112 93.98 5e-107 X-RAY
 2020-12-16 HIS C:167 C:166 150.0 NA -63.9 360.0 150.0 NA NA HOH
 2.918
 O
 O
6zl3 1 P01112 93.98 5e-107 X-RAY
 2020-08-19 HIS A:167 A:166 133.0 0.682 -74.7 360.0 133.0 0.682 0.0 HOH
 3.057
 O
 O
5wdo 1 P01112 93.98 6e-107 X-RAY
 2017-07-19 HIS A:170 A:166 118.0 NA -112.5 360.0 118.0 NA NA HOH
 3.394
 HE1
 O
1xcm 1 P01112 92.81 7e-107 X-RAY
 2005-05-10 HIS A:166 A:166 113.0 0.579 H -68.2 -27.1 113.0 0.579 0.0 HOH
 4.164
 CD2
 O
6ntc 1 P01112 93.37 7e-107 X-RAY
 2020-03-04 HIS A:171 A:166 146.0 0.749 -71.5 360.0 146.0 0.749 0.0 HOH
 5.769
 ND1
 O
6ntd 1 P01112 93.37 7e-107 X-RAY
 2020-03-04 HIS A:171 A:166 139.0 0.713 -71.6 360.0 139.0 0.713 0.0
2c5l 1 P01112 93.37 8e-107 X-RAY
 2006-02-20 HIS A:173 A:166 148.0 NA -70.4 360.0 148.0 NA NA HOH
 2.982
 CD2
 O
HIS B:173 B:166 149.0 NA -57.6 360.0 NA NA NA
4uru 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 139.0 NA -91.3 360.0 139.0 NA NA HOH
 3.504
 CB
 O
4urv 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 141.0 NA -67.0 360.0 141.0 NA NA HOH
 3.204
 CD2
 O
4urw 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 144.0 NA -73.4 360.0 144.0 NA NA HOH
 3.105
 CD2
 O
4urx 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 142.0 NA -65.4 360.0 142.0 NA NA HOH
 2.811
 ND1
 O
4ury 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 145.0 NA -71.4 360.0 145.0 NA NA HOH
 2.954
 ND1
 O
4urz 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 145.0 NA -70.2 360.0 145.0 NA NA HOH
 2.827
 ND1
 O
4us0 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 142.0 NA -68.1 360.0 142.0 NA NA HOH
 3.118
 CE1
 O
4us1 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 139.0 NA -66.6 360.0 139.0 NA NA HOH
 3.838
 CD2
 O
4us2 1 P01112 93.98 9e-107 X-RAY
 2015-03-04 HIS A:185 R:166 145.0 NA -64.8 360.0 145.0 NA NA HOH
 2.933
 ND1
 O
4efm 1 P01112 93.37 9e-107 X-RAY
 2012-05-16 HIS A:171 A:166 138.0 NA -74.0 360.0 138.0 NA NA HOH
 4.588
 CD2
 O
4efl 1 P01112 93.98 9e-107 X-RAY
 2012-05-16 HIS A:171 A:166 148.0 NA -73.6 360.0 148.0 NA NA HOH
 4.615
 CD2
 O
5b2z 1 P01112 93.98 9e-107 X-RAY
 2016-06-01 HIS A:171 A:166 124.0 NA -99.9 360.0 124.0 NA NA HOH
 3.438
 NE2
 O
5b30 1 P01112 93.98 9e-107 X-RAY
 2016-06-01 HIS A:171 A:166 148.0 NA -85.6 360.0 148.0 NA NA NA
HOH
 8.571
3.546
 NE2
CE1
 NA
O
1iaq 1 P01112 93.37 9e-107 X-RAY
 2001-06-06 HIS A:166 A:166 161.0 NA -128.0 360.0 161.0 NA NA
HIS B:166 B:166 163.0 NA -127.4 360.0 NA NA NA
HIS C:166 C:166 165.0 NA -128.2 360.0 NA NA NA
5zc6 1 P01112 93.37 9e-107 NMR
 2018-09-12 HIS A:166 A:166 158.0 0.81 -80.8 360.0 158.0 0.81 0.0
1lfd 2 P01112 92.81 1e-106 X-RAY
 1999-05-04 HIS B:166 B:366 97.0 0.497 H -71.7 -45.9 97.0 0.497 0.0 HOH
 2.964
 NE2
 O
HIS D:166 D:366 86.0 0.441 H -75.0 -38.6 NA NA NA
2quz 1 P01112 93.37 1e-106 X-RAY
 2007-12-11 HIS A:166 A:166 136.0 0.697 -89.7 360.0 136.0 0.697 0.0 HOH
 3.201
 NE2
 O
3k9l 1 P01112 93.37 1e-106 X-RAY
 2010-11-03 HIS A:166 A:166 117.0 0.6 -86.2 360.0 117.0 0.6 0.0 CA
HOH
 9.441
4.820
 O
N
 CA
O
HIS B:166 B:166 122.0 NA -103.7 360.0 NA NA NA
HIS C:166 C:166 125.0 NA -86.4 360.0 NA NA NA
3k9n 1 P01112 93.37 1e-106 X-RAY
 2010-03-02 HIS A:166 A:166 142.0 NA -55.7 360.0 142.0 NA NA HOH
 3.893
 N
 O
4xvr 1 P01112 93.37 1e-106 X-RAY
 2015-06-17 HIS A:166 A:166 151.0 NA -67.5 360.0 151.0 NA NA HOH
 3.369
 O
 O
3v4f 1 P20171 93.37 1e-106 X-RAY
 2012-08-08 HIS A:166 A:166 151.0 NA -76.2 360.0 151.0 NA NA HOH
 4.023
 OXT
 O
4dlr 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 HIS A:166 A:166 120.0 NA -87.0 360.0 120.0 NA NA MG
HOH
 8.336
3.550
 CE1
CE1
 MG
O
4dlv 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 HIS A:166 A:166 150.0 NA -76.2 360.0 150.0 NA NA HOH
 2.678
 O
 O
4dlx 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 HIS A:166 A:166 124.0 NA -90.9 360.0 124.0 NA NA HOH
 3.468
 CE1
 O
4dly 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 HIS A:166 A:166 125.0 NA -94.1 360.0 125.0 NA NA CA
HOH
 4.468
3.162
 CE1
CE1
 CA
O
4dlz 1 P01112 93.37 1e-106 X-RAY
 2012-08-08 HIS A:166 A:166 122.0 NA -91.1 360.0 122.0 NA NA HOH
 3.715
 OXT
 O
3lo5 1 P01112 93.37 1e-106 X-RAY
 2010-03-02 HIS A:166 A:166 140.0 0.718 -107.3 360.0 140.0 0.718 0.0 HOH
 3.773
 CB
 O
HIS B:166 C:166 141.0 0.723 -100.8 360.0 NA NA NA
HIS C:166 E:166 112.0 0.574 -88.1 360.0 NA NA NA
1xj0 1 P01112 93.37 2e-106 X-RAY
 2005-05-10 HIS A:166 A:166 152.0 NA -64.1 360.0 152.0 NA NA MG
HOH
 8.508
3.796
 N
CD2
 MG
O
2rgb 1 P01112 93.37 2e-106 X-RAY
 2007-12-18 HIS A:166 A:166 123.0 NA -91.9 360.0 123.0 NA NA HOH
 3.078
 CD2
 O
221p 1 P01112 93.37 2e-106 X-RAY
 1994-01-31 HIS A:166 A:166 153.0 NA -67.0 360.0 132.0 NA NA A:P01112:NA
 HOH
 3.533
 OXT
 O
2x1v 1 P01112 93.37 2e-106 X-RAY
 2010-01-12 HIS A:166 NA:NA DO NA DO DO DO NA NA NA
5wdp 1 P01112 93.37 2e-106 X-RAY
 2017-07-19 HIS A:166 A:166 128.0 NA -106.1 360.0 128.0 NA NA HOH
 3.013
 HE1
 O
621p 1 P01112 93.37 2e-106 X-RAY
 1994-01-31 HIS A:166 A:166 145.0 NA -70.0 360.0 126.0 NA NA A:P01112:NA
 HOH
 2.759
 OXT
 O
521p 1 P01112 92.77 2e-106 X-RAY
 1994-01-31 HIS A:166 A:166 153.0 NA -83.8 360.0 124.0 NA NA A:P01112:NA
5uhv 1 P01111 93.98 2e-106 X-RAY
 2017-06-28 TYR A:166 A:166 173.0 NA -66.3 360.0 173.0 NA NA HOH
 2.542
 OXT
 O
1lf0 1 P01112 93.37 2e-106 X-RAY
 2002-11-06 HIS A:166 A:166 149.0 NA -78.8 360.0 149.0 NA NA HOH
 3.027
 CD2
 O
1lf5 1 P01112 93.37 2e-106 X-RAY
 2002-11-06 HIS A:166 A:166 149.0 NA -73.0 360.0 149.0 NA NA HOH
 3.298
 ND1
 O
1nvu 1 P01112 93.37 2e-106 X-RAY
 2003-04-01 HIS A:166 Q:166 144.0 NA -71.6 360.0 144.0 NA NA HOH
 3.818
 ND1
 O
HIS B:166 R:166 148.0 NA -82.8 360.0 148.0 NA NA HOH
 2.912
 NE2
 O
1nvx 1 P01112 93.37 2e-106 X-RAY
 2003-04-01 HIS A:166 Q:166 145.0 NA -62.6 360.0 145.0 NA NA
HIS B:166 R:166 142.0 NA -93.0 360.0 142.0 NA NA
2lcf 1 P01112 93.37 3e-106 NMR
 2011-09-28 HIS A:172 A:166 176.0 NA -95.6 360.0 176.0 NA NA
2lwi 1 P01112 93.37 3e-106 NMR
 2013-05-22 HIS A:172 A:166 139.0 NA -128.7 360.0 139.0 NA NA
2n42 1 P01112 93.37 3e-106 NMR
 2015-07-01 HIS A:172 A:166 133.0 NA -78.8 360.0 133.0 NA NA
2n46 1 P01112 93.37 3e-106 NMR
 2015-07-01 HIS A:172 A:166 205.0 NA 53.8 360.0 205.0 NA NA
3kkm 1 P01112 93.37 3e-106 X-RAY
 2010-06-16 HIS A:172 A:166 146.0 NA -74.0 360.0 146.0 NA NA HOH
 3.311
 NE2
 O
3kkn 1 P01112 93.37 3e-106 X-RAY
 2010-06-16 HIS A:172 A:166 145.0 NA -85.4 360.0 145.0 NA NA HOH
 4.588
 CD2
 O
3i3s 1 P01112 93.37 3e-106 X-RAY
 2009-12-22 HIS A:166 R:166 105.0 0.538 -86.5 360.0 105.0 0.538 0.0 HOH
 3.888
 CE1
 O
5wdq 1 P01112 93.37 3e-106 X-RAY
 2017-07-19 HIS A:170 A:166 155.0 NA -65.2 360.0 155.0 NA NA HOH
 4.416
 CD2
 O
2cld 1 P01112 93.37 4e-106 X-RAY
 2006-05-31 HIS A:166 X:166 120.0 NA -103.0 360.0 120.0 NA NA HOH
 2.293
 NE2
 O
1nvv 1 P01112 93.37 5e-106 X-RAY
 2003-04-01 HIS A:166 Q:166 140.0 NA -84.8 360.0 140.0 NA NA HOH
 6.963
 OXT
 O
1xd2 1 P01112 93.37 5e-106 X-RAY
 2004-11-02 HIS A:166 A:166 138.0 NA -80.0 360.0 138.0 NA NA
4nyj 1 P01112 93.37 5e-106 X-RAY
 2014-03-12 HIS A:166 Q:166 158.0 NA -82.2 360.0 158.0 NA NA
4nym 1 P01112 93.37 5e-106 X-RAY
 2014-03-12 HIS A:166 Q:166 146.0 0.749 -172.0 360.0 146.0 0.749 0.0
7dph 1 P01112 93.37 5e-106 X-RAY
 2021-07-28 HIS A:171 A:166 154.0 NA -77.1 360.0 154.0 NA NA NA
HOH
 8.771
3.603
 CD2
NE2
 NA
O
1zvq 1 P01112 93.37 5e-106 X-RAY
 2006-03-14 HIS A:166 A:166 134.0 0.687 -71.1 360.0 134.0 0.687 0.0 HOH
 3.686
 CB
 O
1zw6 1 P01112 93.37 5e-106 X-RAY
 2006-03-14 HIS A:166 A:166 140.0 0.718 -75.3 360.0 140.0 0.718 0.0 MG
HOH
 7.587
2.745
 N
ND1
 MG
O
2rgd 1 P01112 93.37 6e-106 X-RAY
 2007-12-18 HIS A:166 A:166 134.0 0.687 -78.1 360.0 134.0 0.687 0.0 HOH
 2.854
 ND1
 O
3oiu 1 P01112 93.37 6e-106 X-RAY
 2010-12-08 HIS A:166 A:166 169.0 NA -80.2 360.0 169.0 NA NA CA
ACT
HOH
 8.736
7.783
4.168
 ND1
CE1
CD2
 CA
O
O
4g3x 1 P01112 93.37 6e-106 X-RAY
 2013-07-17 HIS A:166 A:166 161.0 NA -101.1 360.0 161.0 NA NA HOH
 3.026
 CE1
 O
721p 1 P01112 93.37 6e-106 X-RAY
 1994-01-31 HIS A:166 A:166 141.0 NA -78.0 360.0 119.0 NA NA A:P01112:NA
 HOH
 3.810
 CD2
 O
2rgc 1 P01112 93.37 7e-106 X-RAY
 2007-12-18 HIS A:166 A:166 153.0 NA -65.7 360.0 153.0 NA NA HOH
 2.838
 ND1
 O
4nyi 1 P01112 93.37 7e-106 X-RAY
 2014-03-12 HIS A:167 Q:166 159.0 NA -69.2 360.0 159.0 NA NA HOH
 6.585
 OXT
 O
6bvi 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 HIS A:167 A:166 148.0 NA -66.5 360.0 148.0 NA NA HOH
 2.460
 O
 O
6bvk 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 HIS A:167 A:166 146.0 NA -66.5 360.0 146.0 NA NA HOH
 2.481
 O
 O
6bvl 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 HIS A:167 A:166 145.0 NA -65.8 360.0 145.0 NA NA HOH
 2.430
 O
 O
6bvm 1 P01112 93.37 7e-106 X-RAY
 2018-10-24 HIS A:167 A:166 146.0 NA -68.7 360.0 146.0 NA NA HOH
 2.570
 O
 O
6cuo 1 P01112 93.37 7e-106 X-RAY
 2019-02-06 HIS A:167 A:166 147.0 NA -67.1 360.0 147.0 NA NA HOH
 2.510
 O
 O
6cup 1 P01112 93.37 7e-106 X-RAY
 2019-02-06 HIS A:167 A:166 147.0 NA -72.2 360.0 147.0 NA NA HOH
 2.514
 O
 O
6cur 1 P01112 93.37 7e-106 X-RAY
 2019-02-06 HIS A:167 A:166 147.0 NA -61.7 360.0 147.0 NA NA HOH
 2.506
 O
 O
6d55 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 147.0 NA -66.7 360.0 147.0 NA NA HOH
 2.678
 O
 O
6d56 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 152.0 NA -69.1 360.0 152.0 NA NA HOH
 2.512
 O
 O
6d59 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 143.0 NA -70.8 360.0 143.0 NA NA HOH
 2.548
 O
 O
6d5e 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 147.0 NA -68.6 360.0 147.0 NA NA HOH
 2.605
 OXT
 O
6d5g 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 146.0 NA -67.6 360.0 146.0 NA NA HOH
 2.541
 O
 O
6d5h 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 148.0 NA -69.5 360.0 148.0 NA NA HOH
 2.670
 O
 O
6d5j 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 144.0 NA -68.5 360.0 144.0 NA NA HOH
 2.612
 O
 O
6d5l 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 A:166 145.0 NA -64.2 360.0 145.0 NA NA HOH
 2.493
 O
 O
6d5m 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 Q:166 146.0 NA -63.1 360.0 146.0 NA NA HOH
 2.555
 O
 O
6d5v 1 P01112 93.37 7e-106 X-RAY
 2018-09-19 HIS A:167 Q:166 149.0 NA -61.5 360.0 149.0 NA NA HOH
 2.646
 O
 O
6d5w 1 P01112 93.37 7e-106 X-RAY
 2019-03-27 HIS A:167 Q:166 151.0 NA -64.6 360.0 151.0 NA NA HOH
 2.805
 OXT
 O
6v94 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 HIS A:167 A:166 147.0 NA -63.2 360.0 147.0 NA NA HOH
 2.550
 O
 O
6v9f 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 HIS A:167 A:166 151.0 NA -65.5 360.0 151.0 NA NA HOH
 2.550
 CD2
 O
6v9j 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 HIS A:167 A:166 145.0 NA -71.0 360.0 145.0 NA NA HOH
 2.572
 O
 O
6v9l 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 HIS A:167 A:166 146.0 NA -68.2 360.0 146.0 NA NA HOH
 2.476
 O
 O
6v9m 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 HIS A:167 A:166 145.0 NA -65.3 360.0 145.0 NA NA HOH
 2.580
 O
 O
6v9n 1 P01112 93.37 7e-106 X-RAY
 2020-08-26 HIS A:167 A:166 150.0 NA -65.5 360.0 150.0 NA NA HOH
 2.401
 O
 O
6v9o 1 P01112 93.37 7e-106 X-RAY
 2020-12-16 HIS A:167 A:166 144.0 NA -67.9 360.0 144.0 NA NA HOH
 2.638
 O
 O
3ddc 1 P01112 92.77 7e-106 X-RAY
 2008-07-15 HIS A:166 A:166 123.0 0.631 -101.0 360.0 123.0 0.631 0.0 HOH
 4.705
 ND1
 O
2rga 1 P01112 93.37 8e-106 X-RAY
 2007-12-18 HIS A:166 A:166 157.0 NA -69.4 360.0 157.0 NA NA HOH
 2.536
 ND1
 O
2rgg 1 P01112 93.37 8e-106 X-RAY
 2007-12-18 HIS A:166 A:166 151.0 NA -65.3 360.0 151.0 NA NA HOH
 3.307
 CD2
 O
4xvq 1 P01112 93.37 9e-106 X-RAY
 2015-06-17 HIS A:166 A:166 166.0 NA -66.7 360.0 166.0 NA NA HOH
 3.371
 O
 O
5vbe 1 P01112 93.37 9e-106 X-RAY
 2017-10-25 HIS A:171 A:166 145.0 NA -73.8 360.0 145.0 NA NA HOH
 2.686
 HD2
 O
5vbz 1 P01112 93.37 9e-106 X-RAY
 2017-10-25 HIS A:171 A:166 144.0 NA -80.9 360.0 144.0 NA NA HOH
 6.491
 HB2
 O
HIS B:171 B:166 132.0 NA -78.5 360.0 NA NA NA
HIS C:171 C:166 154.0 NA -65.3 360.0 NA NA NA
4efn 1 P01112 93.37 1e-105 X-RAY
 2012-05-16 HIS A:171 A:166 141.0 NA -80.5 360.0 141.0 NA NA HOH
 4.379
 ND1
 O
7dpj 1 P01112 93.37 1e-105 X-RAY
 2021-07-28 HIS A:171 A:166 158.0 0.81 -95.8 360.0 158.0 0.81 0.0 HOH
 4.006
 N
 O
6wgh 1 P01111 88.33 1e-105 X-RAY
 2020-05-20 TYR A:177 A:176 101.0 0.439 H -58.8 -40.1 101.0 0.439 0.0 GOL
HOH
 6.393
3.818
 OH
CD1
 O3
O
TYR B:177 B:176 115.0 0.5 H -61.1 -29.8 NA NA NA
7jhp 1 P01112 93.37 2e-105 X-RAY
 2020-08-05 HIS A:166 A:166 134.0 0.687 55.0 360.0 134.0 0.687 0.0 HOH
 4.576
 CA
 O
2ce2 1 P01112 92.77 3e-104 X-RAY
 2006-08-23 HIS A:166 X:166 143.0 NA -53.6 360.0 143.0 NA NA HOH
 2.571
 OXT
 O
2cl0 1 P01112 92.77 3e-104 X-RAY
 2006-05-31 HIS A:166 X:166 123.0 NA -89.0 360.0 123.0 NA NA MG
HOH
 6.550
2.470
 CE1
NE2
 MG
O
2cl6 1 P01112 92.77 3e-104 X-RAY
 2006-05-24 HIS A:166 X:166 114.0 NA -93.8 360.0 114.0 NA NA HOH
 2.553
 OXT
 O
2cl7 1 P01112 92.77 3e-104 X-RAY
 2006-05-24 HIS A:166 X:166 121.0 NA -105.3 360.0 121.0 NA NA MG
HOH
 2.304
2.795
 NE2
OXT
 MG
O
2clc 1 P01112 92.77 3e-104 X-RAY
 2006-05-24 HIS A:166 X:166 119.0 NA -106.6 360.0 119.0 NA NA MG
HOH
 2.218
2.773
 NE2
O
 MG
O
2evw 1 P01112 92.77 3e-104 X-RAY
 2006-05-30 HIS A:166 X:166 116.0 NA -100.0 360.0 116.0 NA NA HOH
 2.636
 NE2
 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 TYR A:166 A:166 50.0 0.217 H -63.2 -45.8
af-p01111-f1 1 P01111 86.84 2e-112 TYR A:166 A:166 38.0 0.165 H -60.6 -46.0
af-p01112-f1 1 P01112 86.77 3e-112 HIS A:166 A:166 23.0 0.118 H -61.7 -40.6