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5ACW

VIM-2-1, 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 Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 1001
ChainResidue
AHIS116
AHIS118
AHIS196
ARHU1298
AOH1302
AHOH2001

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 1002
ChainResidue
AHIS263
ARHU1298
AOH1302
AASP120
AARG121
AOCS221

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 1003
ChainResidue
AHIS170
AHIS285
ARHU1299
ACL1300
ACL1301

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 1001
ChainResidue
BHIS116
BHIS118
BHIS196
BRHU1298
BOH1302
BHOH2001

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 1002
ChainResidue
BASP120
BARG121
BOCS221
BHIS263
BRHU1298
BOH1302

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 1003
ChainResidue
BHIS170
BHIS285
BRHU1299
BCL1300
BCL1301

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE RHU B 1299
ChainResidue
BTYR137
BHIS170
BTHR229
BHIS285
BASN288
BALA292
BZN1003
BCL1300
BCL1301
BHOH2055
BHOH2126
BHOH2168
BHOH2259

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL A 1300
ChainResidue
AALA135
AHIS170
AHIS285
AASN288
AZN1003
ARHU1299
AHOH2333

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 1300
ChainResidue
BHIS170
BHIS285
BASN288
BZN1003
BRHU1299
BCL1301

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1301
ChainResidue
BHIS170
BHIS285
BZN1003
BRHU1299
BCL1300

site_idBC2
Number of Residues12
DetailsBinding site for residues RHU A1298 and OH A1302
ChainResidue
ATRP87
AHIS116
AHIS118
AASP120
AHIS196
AOCS221
AHIS263
AZN1001
AZN1002
AHOH2001
AHOH2150
AHOH2347

site_idBC3
Number of Residues12
DetailsBinding site for residues RHU A1298 and OH A1302
ChainResidue
ATRP87
AHIS116
AHIS118
AASP120
AHIS196
AOCS221
AHIS263
AZN1001
AZN1002
AHOH2001
AHOH2150
AHOH2347

site_idBC4
Number of Residues11
DetailsBinding site for residues RHU A1299 and CL A1301
ChainResidue
AHOH2142
AALA135
ATYR137
AHIS170
ATHR229
AHIS285
AASN288
AALA292
AZN1003
ACL1300
AHOH2082

site_idBC5
Number of Residues11
DetailsBinding site for residues RHU A1299 and CL A1301
ChainResidue
AALA135
ATYR137
AHIS170
ATHR229
AHIS285
AASN288
AALA292
AZN1003
ACL1300
AHOH2082
AHOH2142

site_idBC6
Number of Residues14
DetailsBinding site for residues RHU B1298 and OH B1302
ChainResidue
BPHE61
BTRP87
BHIS116
BHIS118
BASP120
BHIS196
BOCS221
BHIS263
BZN1001
BZN1002
BHOH2001
BHOH2136
BHOH2140
BHOH2327

site_idBC7
Number of Residues14
DetailsBinding site for residues RHU B1298 and OH B1302
ChainResidue
BPHE61
BTRP87
BHIS116
BHIS118
BASP120
BHIS196
BOCS221
BHIS263
BZN1001
BZN1002
BHOH2001
BHOH2136
BHOH2140
BHOH2327

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PDB entries from 2024-07-17

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