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6B1X

Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 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 Residues18
Detailsbinding site for residue C9D A 301
ChainResidue
ACYS69
AGLY236
ATHR237
ACYS238
AHOH405
AHOH424
AHOH537
AHOH538
AHOH572
AHOH580
ASER70
ATRP105
ASER130
AASN132
AASN170
ATHR216
ALYS234
ATHR235

site_idAC2
Number of Residues14
Detailsbinding site for residue CIT A 302
ChainResidue
ATYR97
AGLY98
AASN100
AALA101
AHOH401
AHOH404
AHOH493
BARG96
BARG164
BARG178
BEDO304
BHOH420
BHOH428
BHOH483

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 303
ChainResidue
AALA124
AALA125
AGLN128
ATYR129
APRO174
AHOH505

site_idAC4
Number of Residues7
Detailsbinding site for residue EDO A 304
ChainResidue
AALA82
AGLN85
AGLN86
AVAL103
APRO104
AHOH414
AHOH484

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 305
ChainResidue
AARG96
ATHR115
BASN136
BTRP165
BCIT302
BHOH497

site_idAC6
Number of Residues5
Detailsbinding site for residue EDO A 306
ChainResidue
AGLN205
AVAL208
ALYS212
ATRP251
AHOH586

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 307
ChainResidue
APRO107
AARG204
AHOH403

site_idAC8
Number of Residues13
Detailsbinding site for residue CIT B 302
ChainResidue
APRO94
AARG96
ATHR115
AGLY116
AMET117
ATHR118
AARG178
AEDO305
BASN100
BALA101
BLYS140
BHOH491
BHOH537

site_idAC9
Number of Residues7
Detailsbinding site for residue EDO B 303
ChainResidue
BALA124
BALA125
BGLN128
BTYR129
BILE173
BPRO174
BHOH492

site_idAD1
Number of Residues6
Detailsbinding site for residue EDO B 304
ChainResidue
ACIT302
BPRO94
BTHR115
BARG178
BEDO305
BHOH420

site_idAD2
Number of Residues6
Detailsbinding site for residue EDO B 305
ChainResidue
BTYR112
BTHR115
BGLU121
BARG178
BEDO304
BHOH407

site_idAD3
Number of Residues22
Detailsbinding site for Di-peptide C9D B 301 and SER B 70
ChainResidue
BLEU167
BASN170
BTHR216
BLYS234
BTHR235
BGLY236
BTHR237
BCYS238
BHOH412
BHOH425
BHOH495
BHOH514
BHOH526
BHOH554
BLEU68
BCYS69
BSER71
BPHE72
BLYS73
BTRP105
BSER130
BASN132

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000250
ChainResidueDetails
ASER70
BSER70

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000250
ChainResidueDetails
AGLU168
BGLU168

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ALYS234
BLYS234

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PDB entries from 2024-08-14

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