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4U4L

Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor

Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 301
ChainResidue
AHIS120
AHIS122
AHIS189
A3C7303

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 302
ChainResidue
AASP124
ACYS208
AHIS250
A3C7303

site_idAC3
Number of Residues9
Detailsbinding site for residue 3C7 A 303
ChainResidue
AASP124
AHIS189
AHIS250
AZN301
AZN302
AHOH480
AHOH562
AHOH563
AHIS122

site_idAC4
Number of Residues4
Detailsbinding site for residue ZN B 301
ChainResidue
BASP124
BCYS208
BHIS250
B3C7303

site_idAC5
Number of Residues4
Detailsbinding site for residue ZN B 302
ChainResidue
BHIS120
BHIS122
BHIS189
B3C7303

site_idAC6
Number of Residues9
Detailsbinding site for residue 3C7 B 303
ChainResidue
BHIS122
BASP124
BHIS189
BHIS250
BZN301
BZN302
BHOH485
BHOH525
BHOH561

site_idAC7
Number of Residues4
Detailsbinding site for residue ZN C 301
ChainResidue
CASP124
CCYS208
CHIS250
C3C7304

site_idAC8
Number of Residues4
Detailsbinding site for residue ZN C 302
ChainResidue
CHIS120
CHIS122
CHIS189
C3C7304

site_idAC9
Number of Residues7
Detailsbinding site for residue GOL C 303
ChainResidue
APRO150
AGLY153
CARG234
CGLY237
CALA238
CARG256
CHOH412

site_idAD1
Number of Residues12
Detailsbinding site for residue 3C7 C 304
ChainResidue
CVAL73
CTRP93
CHIS122
CASP124
CHIS189
CHIS250
CZN301
CZN302
CHOH482
CHOH499
CHOH550
CHOH553

site_idAD2
Number of Residues4
Detailsbinding site for residue ZN D 301
ChainResidue
DASP124
DCYS208
DHIS250
D3C7304

site_idAD3
Number of Residues4
Detailsbinding site for residue ZN D 302
ChainResidue
DHIS120
DHIS122
DHIS189
D3C7304

site_idAD4
Number of Residues9
Detailsbinding site for residue GOL D 303
ChainResidue
BPRO150
BGLY153
DARG234
DGLY237
DALA238
DARG256
DILE259
DTHR260
DHOH537

site_idAD5
Number of Residues7
Detailsbinding site for residue 3C7 D 304
ChainResidue
DHIS122
DHIS189
DASN220
DHIS250
DZN301
DZN302
DHOH642

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues24
DetailsBINDING: BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
ChainResidueDetails
AHIS120
BHIS189
BCYS208
BHIS250
CHIS120
CHIS122
CASP124
CHIS189
CCYS208
CHIS250
DHIS120
AHIS122
DHIS122
DASP124
DHIS189
DCYS208
DHIS250
AASP124
AHIS189
ACYS208
AHIS250
BHIS120
BHIS122
BASP124

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:22713171
ChainResidueDetails
ALYS211
AASN220
BLYS211
BASN220
CLYS211
CASN220
DLYS211
DASN220

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PDB entries from 2024-07-31

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