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6JN4

Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001

Functional Information from GO Data
ChainGOidnamespacecontents
A0008800molecular_functionbeta-lactamase activity
A0016787molecular_functionhydrolase activity
A0017001biological_processantibiotic catabolic process
A0030655biological_processbeta-lactam antibiotic catabolic process
A0046677biological_processresponse to antibiotic
B0008800molecular_functionbeta-lactamase activity
B0016787molecular_functionhydrolase activity
B0017001biological_processantibiotic catabolic process
B0030655biological_processbeta-lactam antibiotic catabolic process
B0046677biological_processresponse to antibiotic
C0008800molecular_functionbeta-lactamase activity
C0016787molecular_functionhydrolase activity
C0017001biological_processantibiotic catabolic process
C0030655biological_processbeta-lactam antibiotic catabolic process
C0046677biological_processresponse to antibiotic
D0008800molecular_functionbeta-lactamase activity
D0016787molecular_functionhydrolase activity
D0017001biological_processantibiotic catabolic process
D0030655biological_processbeta-lactam antibiotic catabolic process
D0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues12
Detailsbinding site for residue BX9 A 301
ChainResidue
ACYS69
ACYS238
AACY304
AHOH598
ASER70
ALYS73
ATRP105
ASER130
AASN132
AGLU166
AASN170
ATHR237

site_idAC2
Number of Residues7
Detailsbinding site for residue ACT A 302
ChainResidue
AARG256
ALEU290
AGLY291
AHOH425
AHOH525
CARG164
CARG178

site_idAC3
Number of Residues4
Detailsbinding site for residue ACY A 303
ChainResidue
ASER275
AGLU276
AALA277
DLYS273

site_idAC4
Number of Residues8
Detailsbinding site for residue ACY A 304
ChainResidue
ASER70
ASER130
ATHR216
ATHR235
AGLY236
ATHR237
ABX9301
AHOH450

site_idAC5
Number of Residues2
Detailsbinding site for residue PEG A 305
ChainResidue
ALYS140
APEG306

site_idAC6
Number of Residues3
Detailsbinding site for residue PEG A 306
ChainResidue
AVAL103
ATRP165
APEG305

site_idAC7
Number of Residues13
Detailsbinding site for residue BX9 B 301
ChainResidue
BCYS69
BSER70
BTRP105
BSER130
BASN132
BGLU166
BLEU167
BASN170
BTHR237
BCYS238
BACY303
BHOH401
BHOH575

site_idAC8
Number of Residues5
Detailsbinding site for residue ACT B 302
ChainResidue
BSER275
BGLU276
BALA277
BHOH448
BHOH505

site_idAC9
Number of Residues9
Detailsbinding site for residue ACY B 303
ChainResidue
BSER70
BSER130
BTHR216
BLYS234
BTHR235
BGLY236
BTHR237
BBX9301
BHOH408

site_idAD1
Number of Residues4
Detailsbinding site for residue PEG B 304
ChainResidue
BGLN191
BLYS192
BPEG305
BHOH510

site_idAD2
Number of Residues5
Detailsbinding site for residue PEG B 305
ChainResidue
BTHR51
BPEG304
BHOH402
BHOH404
BHOH509

site_idAD3
Number of Residues3
Detailsbinding site for residue PEG B 306
ChainResidue
BASN218
BVAL225
BPEG307

site_idAD4
Number of Residues3
Detailsbinding site for residue PEG B 307
ChainResidue
BLYS111
BTYR129
BPEG306

site_idAD5
Number of Residues10
Detailsbinding site for residue BX9 C 301
ChainResidue
CCYS69
CSER70
CLYS73
CSER130
CASN132
CGLU166
CASN170
CTHR237
CCYS238
CACY303

site_idAD6
Number of Residues3
Detailsbinding site for residue ACT C 302
ChainResidue
CSER275
CGLU276
CALA277

site_idAD7
Number of Residues9
Detailsbinding site for residue ACY C 303
ChainResidue
CBX9301
CSER70
CSER130
CTHR216
CARG220
CLYS234
CTHR235
CGLY236
CTHR237

site_idAD8
Number of Residues3
Detailsbinding site for residue PEG C 304
ChainResidue
BALA88
CGLN85
CHOH473

site_idAD9
Number of Residues5
Detailsbinding site for residue PEG C 305
ChainResidue
CMET49
CGLN191
CHOH407
CHOH469
DASN100

site_idAE1
Number of Residues12
Detailsbinding site for residue BX9 D 301
ChainResidue
DCYS69
DSER70
DLYS73
DTRP105
DSER130
DASN132
DGLU166
DASN170
DTHR237
DCYS238
DACY303
DHOH508

site_idAE2
Number of Residues2
Detailsbinding site for residue ACT D 302
ChainResidue
DGLU276
DALA277

site_idAE3
Number of Residues6
Detailsbinding site for residue ACY D 303
ChainResidue
DSER70
DSER130
DLYS234
DTHR235
DTHR237
DBX9301

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000250
ChainResidueDetails
ASER70
BSER70
CSER70
DSER70

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000250
ChainResidueDetails
AGLU168
BGLU168
CGLU168
DGLU168

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ALYS234
BLYS234
CLYS234
DLYS234

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PDB entries from 2024-06-12

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