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6Q30

Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5

Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 301
ChainResidue
AASP124
ACYS208
AHIS250
AHCH305

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 302
ChainResidue
AHIS120
AHIS122
AHIS189
AHCH305

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 303
ChainResidue
AASP223
AHOH540
BGLU227
BHOH428
BHOH533
AGLU152

site_idAC4
Number of Residues7
Detailsbinding site for residue CA A 304
ChainResidue
AASP95
AASP130
AHOH417
AHOH432
AHOH512
AHOH547
AHOH557

site_idAC5
Number of Residues13
Detailsbinding site for residue HCH A 305
ChainResidue
ALEU65
AHIS120
AHIS122
AGLN123
AASP124
AHIS189
ACYS208
AASN220
AHIS250
AZN301
AZN302
AHOH414
AHOH528

site_idAC6
Number of Residues4
Detailsbinding site for residue ZN B 301
ChainResidue
BASP124
BCYS208
BHIS250
BHCH305

site_idAC7
Number of Residues4
Detailsbinding site for residue ZN B 302
ChainResidue
BHIS120
BHIS122
BHIS189
BHCH305

site_idAC8
Number of Residues6
Detailsbinding site for residue CA B 303
ChainResidue
AGLU227
AHOH430
AHOH505
BGLU152
BASP223
BHOH539

site_idAC9
Number of Residues5
Detailsbinding site for residue CA B 304
ChainResidue
BASP95
BASP130
BHOH404
BHOH476
BHOH564

site_idAD1
Number of Residues13
Detailsbinding site for residue HCH B 305
ChainResidue
BHIS120
BHIS122
BGLN123
BASP124
BHIS189
BASN220
BHIS250
BZN301
BZN302
BHOH418
BHOH519
BHOH535
BHOH551

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

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PDB entries from 2024-07-24

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