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6B1F

Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by soaking

Functional Information from GO Data
ChainGOidnamespacecontents
A0008800molecular_functionbeta-lactamase activity
A0017001biological_processantibiotic catabolic process
A0030655biological_processbeta-lactam antibiotic catabolic process
A0046677biological_processresponse to antibiotic
B0008800molecular_functionbeta-lactamase activity
B0017001biological_processantibiotic catabolic process
B0030655biological_processbeta-lactam antibiotic catabolic process
B0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue C8Y A 301
ChainResidue
ACYS68
ATHR234
AGLY235
ATHR236
AHOH407
AHOH503
AHOH518
ASER69
ATRP104
ASER129
AASN131
ALEU166
AASN169
ATHR215
ALYS233

site_idAC2
Number of Residues15
Detailsbinding site for residue CIT A 302
ChainResidue
ATYR96
AGLY97
ALYS98
AASN99
AALA100
AHOH405
AHOH430
AHOH470
AHOH476
AHOH514
BARG95
BARG163
BARG177
BEDO303
BHOH413

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 303
ChainResidue
AALA123
AALA124
AGLN127
ATYR128
APRO173
AHOH472

site_idAC4
Number of Residues6
Detailsbinding site for residue EDO B 302
ChainResidue
BALA123
BALA124
BGLN127
BTYR128
BPRO173
BHOH450

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO B 303
ChainResidue
ACIT302
AHOH405
BPRO93
BTHR114
BGLY115
BARG177
BHOH417

site_idAC6
Number of Residues17
Detailsbinding site for Di-peptide C8Y B 301 and SER B 69
ChainResidue
BLEU67
BCYS68
BSER70
BPHE71
BLYS72
BTRP104
BSER129
BASN131
BASN169
BTHR215
BLYS233
BTHR234
BGLY235
BTHR236
BHOH405
BHOH445
BHOH550

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000250
ChainResidueDetails
ASER69
BSER69

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000250
ChainResidueDetails
AGLU167
BGLU167

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ALYS233
BLYS233

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PDB entries from 2024-07-24

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