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6J8Q

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 Residues9
Detailsbinding site for residue BHU A 301
ChainResidue
ACYS69
ASER70
AASN132
AGLU166
AASN170
ATHR237
ACYS238
AACY309
AHOH482

site_idAC2
Number of Residues3
Detailsbinding site for residue PEG A 302
ChainResidue
ATYR97
APEG303
AHOH404

site_idAC3
Number of Residues4
Detailsbinding site for residue PEG A 303
ChainResidue
AARG96
APEG302
AHOH415
AHOH514

site_idAC4
Number of Residues2
Detailsbinding site for residue PEG A 304
ChainResidue
AALA101
AHOH415

site_idAC5
Number of Residues3
Detailsbinding site for residue PEG A 305
ChainResidue
AILE108
ALYS111
ATYR129

site_idAC6
Number of Residues3
Detailsbinding site for residue PEG A 306
ChainResidue
ALYS212
AALA230
ATRP251

site_idAC7
Number of Residues1
Detailsbinding site for residue PEG A 307
ChainResidue
BHOH424

site_idAC8
Number of Residues1
Detailsbinding site for residue PEG A 308
ChainResidue
AHOH600

site_idAC9
Number of Residues8
Detailsbinding site for residue ACY A 309
ChainResidue
ASER70
ASER130
ALYS234
ATHR235
AGLY236
ATHR237
ABHU301
AHOH485

site_idAD1
Number of Residues4
Detailsbinding site for residue ACY A 310
ChainResidue
ASER275
AGLU276
AALA277
AHOH492

site_idAD2
Number of Residues8
Detailsbinding site for residue BHU B 301
ChainResidue
BCYS69
BSER70
BTRP105
BASN132
BGLU166
BASN170
BTHR237
BACY306

site_idAD3
Number of Residues6
Detailsbinding site for residue PEG B 302
ChainResidue
BILE108
BLYS111
BLEU287
BPEG303
BHOH401
BHOH459

site_idAD4
Number of Residues9
Detailsbinding site for residue PEG B 303
ChainResidue
BTHR215
BASN218
BALA224
BVAL225
BPRO226
BPEG302
BHOH401
BHOH402
BHOH404

site_idAD5
Number of Residues5
Detailsbinding site for residue PEG B 304
ChainResidue
BGLN85
BGLN86
BALA88
DGLN85
DPEG306

site_idAD6
Number of Residues5
Detailsbinding site for residue PEG B 305
ChainResidue
BGLN85
BHOH428
DSER84
DGLN85
DALA88

site_idAD7
Number of Residues7
Detailsbinding site for residue ACY B 306
ChainResidue
BSER70
BSER130
BLYS234
BTHR235
BGLY236
BTHR237
BBHU301

site_idAD8
Number of Residues5
Detailsbinding site for residue ACY B 307
ChainResidue
BSER275
BGLU276
BALA277
BHOH458
BHOH465

site_idAD9
Number of Residues9
Detailsbinding site for residue BHU C 301
ChainResidue
CCYS69
CSER70
CASN132
CGLU166
CASN170
CTHR237
CCYS238
CACY305
CHOH463

site_idAE1
Number of Residues4
Detailsbinding site for residue PEG C 302
ChainResidue
CASN100
CPEG303
CHOH510
DGLY54

site_idAE2
Number of Residues3
Detailsbinding site for residue PEG C 303
ChainResidue
CASN100
CPEG302
CHOH491

site_idAE3
Number of Residues4
Detailsbinding site for residue SO4 C 304
ChainResidue
CSER275
CGLU276
CALA277
CHOH426

site_idAE4
Number of Residues7
Detailsbinding site for residue ACY C 305
ChainResidue
CSER70
CSER130
CLYS234
CTHR235
CGLY236
CTHR237
CBHU301

site_idAE5
Number of Residues8
Detailsbinding site for residue BHU D 301
ChainResidue
DCYS69
DSER70
DASN132
DGLU166
DASN170
DTHR237
DACY305
DHOH481

site_idAE6
Number of Residues2
Detailsbinding site for residue PEG D 302
ChainResidue
DLYS212
DALA230

site_idAE7
Number of Residues5
Detailsbinding site for residue PEG D 303
ChainResidue
DLEU167
DASN170
DCYS238
DVAL240
DHOH545

site_idAE8
Number of Residues3
Detailsbinding site for residue SO4 D 304
ChainResidue
DSER275
DGLU276
DALA277

site_idAE9
Number of Residues7
Detailsbinding site for residue ACY D 305
ChainResidue
DSER70
DSER130
DLYS234
DTHR235
DGLY236
DTHR237
DBHU301

site_idAF1
Number of Residues3
Detailsbinding site for residue PEG D 306
ChainResidue
BPEG304
DGLN85
DHOH427

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

221051

PDB entries from 2024-06-12

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