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5A93

293K Joint X-ray Neutron 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
A0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1292
ChainResidue
ATRP229
APRO252
AGLU254
AASN255
AHIS256
AHOH2232
AHOH2233

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 A 1293
ChainResidue
AASN274
AASN276
AASP277
AHOH2056
AHOH2152
AHOH2224
AHOH2226
AHOH2234
AHOH2235
ALYS82
AALA198

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1294
ChainResidue
AALA52
AARG178
AHOH2143
AHOH2236

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1295
ChainResidue
AHIS89
AASN92

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1296
ChainResidue
AHIS112
APRO226
ALYS227
ASER228
AHOH2083
AHOH2194
AHOH2238

site_idAC6
Number of Residues17
DetailsBinding site for Ligand PCZ A1291 bound to SER A 70
ChainResidue
ACYS69
ASER70
AASN104
ATYR105
ASER130
AASN132
APRO167
AASN170
ALYS234
ATHR235
AGLY236
ASER237
AGLY238
AASN274
AHOH2198
AHOH2200
AHOH2201

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
DetailsActive site: {"description":"Acyl-ester intermediate","evidences":[{"source":"PROSITE-ProRule","id":"PRU10101","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

245663

PDB entries from 2025-12-03

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