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6IBV

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

Functional Information from PDB Data
site_idAC1
Number of Residues10
Detailsbinding site for residue H9E A 301
ChainResidue
AHIS120
AHOH496
AHIS122
AASP124
AHIS189
ACYS208
AHIS250
AZN302
AZN303
AHOH445

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 302
ChainResidue
AASP124
ACYS208
AHIS250
AH9E301

site_idAC3
Number of Residues4
Detailsbinding site for residue ZN A 303
ChainResidue
AHIS120
AHIS122
AHIS189
AH9E301

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 304
ChainResidue
AGLU152
AASP223
AHOH549
BGLU227
BHOH531
BHOH563

site_idAC5
Number of Residues7
Detailsbinding site for residue CA A 305
ChainResidue
AASP95
AASP130
AHOH466
AHOH541
AHOH551
AHOH568
AHOH578

site_idAC6
Number of Residues6
Detailsbinding site for residue CA A 306
ChainResidue
AGLU227
AHOH512
AHOH565
BGLU152
BASP223
BHOH565

site_idAC7
Number of Residues4
Detailsbinding site for residue DMS B 301
ChainResidue
BARG234
BTHR260
BARG264
BHOH601

site_idAC8
Number of Residues13
Detailsbinding site for residue H9E B 302
ChainResidue
BASP66
BTRP93
BHIS120
BHIS122
BGLN123
BASP124
BHIS189
BCYS208
BHIS250
BZN303
BZN304
BHOH487
BHOH512

site_idAC9
Number of Residues4
Detailsbinding site for residue ZN B 303
ChainResidue
BHIS120
BHIS122
BHIS189
BH9E302

site_idAD1
Number of Residues4
Detailsbinding site for residue ZN B 304
ChainResidue
BASP124
BCYS208
BHIS250
BH9E302

site_idAD2
Number of Residues7
Detailsbinding site for residue MG B 305
ChainResidue
AHOH544
BGLY178
BHOH419
BHOH542
BHOH583
BHOH608
BHOH622

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

224931

PDB entries from 2024-09-11

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