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5ACX

VIM-2-2, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening

Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN A 1001
ChainResidue
AHIS116
AHIS118
AHIS196
AOCS221
AZN1002
AWL31298
AOH1299

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 1002
ChainResidue
AHIS263
AZN1001
AWL31298
AOH1299
AASP120
AOCS221

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1003
ChainResidue
AHIS170
AHIS285
ACL1300
ACL1301

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN B 1001
ChainResidue
BHIS116
BHIS118
BHIS196
BOCS221
BZN1002
BWL31298
BOH1299

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 1002
ChainResidue
BASP120
BOCS221
BHIS263
BZN1001
BWL31298
BOH1299

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 1003
ChainResidue
BHIS170
BHIS285
BCL1300
BCL1301

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE WL3 B 1298
ChainResidue
BTYR67
BTRP87
BASP119
BASP120
BHIS196
BOCS221
BARG228
BASN233
BHIS263
BZN1001
BZN1002
BOH1299
BHOH2218
BHOH2231

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE WL3 A 1298
ChainResidue
ATYR67
AHIS118
AASP119
AASP120
AHIS196
AOCS221
AASN233
AHIS263
AZN1001
AZN1002
AOH1299
AHOH2232
AHOH2243

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE OH B 1299
ChainResidue
BHIS116
BHIS118
BASP120
BHIS196
BOCS221
BZN1001
BZN1002
BWL31298

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE OH A 1299
ChainResidue
AHIS116
AHIS118
AASP120
AHIS196
AOCS221
AZN1001
AZN1002
AWL31298

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 1300
ChainResidue
AHIS170
AHIS285
AZN1003
ACL1301
AHOH2163
AHOH2257

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL A 1301
ChainResidue
AALA135
AHIS170
AHIS285
AASN288
AZN1003
ACL1300
AHOH2306

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 1300
ChainResidue
BHIS170
BHIS285
BASN288
BZN1003
BCL1301
BHOH2066

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1301
ChainResidue
BCL1300
BHOH2152
BHIS170
BHIS285
BZN1003

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PDB entries from 2024-05-01

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