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6B1J

Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 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 Residues17
Detailsbinding site for residue C8V A 301
ChainResidue
ACYS69
AGLY236
ATHR237
ACYS238
AHOH403
AHOH411
AHOH427
AHOH435
AHOH537
ASER70
ATRP105
ASER130
AASN132
AASN170
ATHR216
ALYS234
ATHR235

site_idAC2
Number of Residues15
Detailsbinding site for residue CIT A 302
ChainResidue
ATYR97
AGLY98
ALYS99
AASN100
AALA101
AHOH437
AHOH446
AHOH453
AHOH483
AHOH571
BARG96
BARG164
BARG178
BEDO303
BHOH466

site_idAC3
Number of Residues10
Detailsbinding site for residue CIT A 303
ChainResidue
APRO94
AARG96
ATHR115
AARG178
AEDO308
AHOH455
AHOH501
BASN100
BALA101
BLYS140

site_idAC4
Number of Residues13
Detailsbinding site for residue CIT A 304
ChainResidue
ATRP105
AGLN191
AGLY196
ASER197
ATHR237
AGLY239
AHIS274
AHOH401
AHOH403
AHOH419
AHOH424
AHOH480
AHOH537

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 305
ChainResidue
AALA124
AALA125
AGLN128
ATYR129
APRO174
AHOH521

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 306
ChainResidue
AALA82
AGLN85
AGLN86
AVAL103
APRO104
AHOH443
AHOH447

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 307
ChainResidue
AGLU110
APRO202
AGLN203

site_idAC8
Number of Residues6
Detailsbinding site for residue EDO A 308
ChainResidue
AARG96
ATHR115
ACIT303
BASN136
BTRP165
BHOH467

site_idAC9
Number of Residues4
Detailsbinding site for residue EDO A 309
ChainResidue
AGLN205
AVAL208
ALYS212
AHOH520

site_idAD1
Number of Residues3
Detailsbinding site for residue EDO A 310
ChainResidue
APRO107
AARG204
AHOH402

site_idAD2
Number of Residues7
Detailsbinding site for residue EDO B 302
ChainResidue
BALA124
BALA125
BGLN128
BTYR129
BILE173
BPRO174
BHOH452

site_idAD3
Number of Residues6
Detailsbinding site for residue EDO B 303
ChainResidue
ACIT302
AHOH437
BPRO94
BTHR115
BARG178
BEDO305

site_idAD4
Number of Residues5
Detailsbinding site for residue EDO B 304
ChainResidue
BLYS212
BTRP251
BHOH438
BGLN205
BVAL208

site_idAD5
Number of Residues8
Detailsbinding site for residue EDO B 305
ChainResidue
BTYR112
BTHR115
BGLY116
BGLU121
BILE173
BARG178
BEDO303
BHOH479

site_idAD6
Number of Residues19
Detailsbinding site for Di-peptide C8V B 301 and SER B 70
ChainResidue
BLEU68
BCYS69
BSER71
BPHE72
BLYS73
BTRP105
BSER130
BASN132
BLEU167
BASN170
BTHR216
BLYS234
BTHR235
BGLY236
BTHR237
BCYS238
BHOH408
BHOH513
BHOH546

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

224572

PDB entries from 2024-09-04

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