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6Q2Y

Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3

Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 301
ChainResidue
AHIS120
AHIS122
AHIS189
AHCQ305

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 302
ChainResidue
AASP124
ACYS208
AHIS250
AHCQ305

site_idAC3
Number of Residues4
Detailsbinding site for residue CA A 303
ChainResidue
AASP223
AHOH516
BGLU227
AGLU152

site_idAC4
Number of Residues7
Detailsbinding site for residue CA A 304
ChainResidue
AASP95
AASP130
AHOH434
AHOH468
AHOH496
AHOH504
AHOH518

site_idAC5
Number of Residues12
Detailsbinding site for residue HCQ A 305
ChainResidue
ALEU65
AMET67
ATRP93
AHIS120
AHIS122
AGLN123
AASP124
AHIS189
AASN220
AHIS250
AZN301
AZN302

site_idAC6
Number of Residues4
Detailsbinding site for residue ZN B 301
ChainResidue
BHIS120
BHIS122
BHIS189
BHCQ305

site_idAC7
Number of Residues4
Detailsbinding site for residue ZN B 302
ChainResidue
BASP124
BCYS208
BHIS250
BHCQ305

site_idAC8
Number of Residues6
Detailsbinding site for residue CA B 303
ChainResidue
AGLU227
AHOH463
BGLU152
BASP223
BHOH517
BHOH522

site_idAC9
Number of Residues5
Detailsbinding site for residue CA B 304
ChainResidue
BASP95
BASP130
BHOH457
BHOH493
BHOH529

site_idAD1
Number of Residues12
Detailsbinding site for residue HCQ B 305
ChainResidue
BMET67
BTRP93
BHIS120
BHIS122
BGLN123
BASP124
BHIS189
BASN220
BHIS250
BZN301
BZN302
BHOH518

site_idAD2
Number of Residues6
Detailsbinding site for residue EPE B 306
ChainResidue
AGLN44
AGLN107
AGLU108
BARG234
BTHR260
BARG264

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
ChainResidueDetails
AHIS120
BHIS189
BCYS208
BHIS250
AHIS122
AASP124
AHIS189
ACYS208
AHIS250
BHIS120
BHIS122
BASP124

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:22713171
ChainResidueDetails
ALYS211
AASN220
BLYS211
BASN220

219140

PDB entries from 2024-05-01

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