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5A92

15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography

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 Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 1291
ChainResidue
ATRP229
AHOH2482
APRO252
AGLU254
AASN255
AHIS256
APHE290
AHOH2450
AHOH2480
AHOH2481

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 A 1292
ChainResidue
ALYS82
AALA198
AASN274
AASN276
AASP277
AHOH2409
AHOH2466
AHOH2467
AHOH2483
AHOH2484
AHOH2485

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1293
ChainResidue
AALA52
AARG178
AHOH2069
AHOH2350
AHOH2486
AHOH2487

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1294
ChainResidue
ALYS88
AHIS89
AASN92
AHOH2183
AHOH2185
AHOH2187
AHOH2490

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1296
ChainResidue
AHIS112
ALYS227
ASER228
AHOH2245
AHOH2252
AHOH2421
AHOH2497

site_idAC6
Number of Residues17
DetailsBinding site for Ligand PCZ A1295 bound to SER A 70
ChainResidue
ACYS69
ASER70
AASN104
ATYR105
ASER130
AASN132
APRO167
AASN170
ALYS234
ATHR235
AGLY236
ASER237
AHOH2305
AHOH2308
AHOH2431
AHOH2433
AHOH2493

Functional Information from PROSITE/UniProt
site_idPS00146
Number of Residues16
DetailsBETA_LACTAMASE_A Beta-lactamase class-A active site. FaMCSTsKvmaAAAVL
ChainResidueDetails
APHE66-LEU81

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000255|PROSITE-ProRule:PRU10101
ChainResidueDetails
ASER70

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ALYS234

224201

PDB entries from 2024-08-28

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