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6QW9

Crystal structure of KPC-2 complexed with relebactam (16 hour soak)

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
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue SO4 A 301
ChainResidue
AARG61
ATHR254
AGLY255
AHOH654

site_idAC2
Number of Residues8
Detailsbinding site for residue SO4 A 302
ChainResidue
AHOH438
AHOH525
AHOH558
ASER275
AGLU276
AALA277
AHOH410
AHOH422

site_idAC3
Number of Residues12
Detailsbinding site for residue SO4 A 303
ChainResidue
ASER70
ASER130
ATHR216
ALYS234
ATHR235
AGLY236
ATHR237
AMK7305
AJJT306
AHOH467
AHOH490
AHOH542

site_idAC4
Number of Residues8
Detailsbinding site for residue GOL A 304
ChainResidue
AGLN205
ALYS212
AALA230
ATRP251
AHOH417
AHOH427
AHOH447
AHOH478

site_idAC5
Number of Residues22
Detailsbinding site for residue MK7 A 305
ChainResidue
ACYS69
ASER70
ALYS73
AALA88
ATRP105
ASER130
AASN132
AASN170
ATHR216
ALYS234
ATHR235
AGLY236
ATHR237
ACYS238
ASO4303
AJJT306
AHOH408
AHOH415
AHOH467
AHOH490
AHOH537
AHOH542

site_idAC6
Number of Residues11
Detailsbinding site for residue JJT A 306
ChainResidue
ASER70
ALYS73
ATRP105
ASER130
AASN132
AGLY236
ATHR237
ASO4303
AMK7305
AHOH415
AHOH537

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000250
ChainResidueDetails
ASER70

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000250
ChainResidueDetails
AGLU168

site_idSWS_FT_FI3
Number of Residues1
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ALYS234

221716

PDB entries from 2024-06-26

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