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4BD0

X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)

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 1292
ChainResidue
ATRP229
AHOH2391
APRO252
AGLU254
AASN255
AHIS256
APHE290
AHOH2387
AHOH2389
AHOH2390

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1293
ChainResidue
AALA52
AARG178
AHOH2051
AHOH2056
AHOH2255
AHOH2362
AHOH2392

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE SO4 A 1294
ChainResidue
ALYS82
AALA198
AASN274
AARG275
AASN276
AASP277
AHOH2122
AHOH2123
AHOH2124
AHOH2125
AHOH2286
AHOH2374
AHOH2377
AHOH2393
AHOH2394

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1295
ChainResidue
AGLU269
AGLN270
AHOH2278
AHOH2366
AHOH2370

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1296
ChainResidue
ATHR209
ALYS212
AHOH2296

site_idAC6
Number of Residues11
DetailsBinding site for Ligand BZB A 300 bound to SER A 70
ChainResidue
ACYS69
ASER70
AASN104
ATYR105
ASER130
AASN132
AASN170
AGLY236
ASER237
AHOH1500
AHOH1502

site_idAC7
Number of Residues11
DetailsBinding site for Ligand BZB A 300 bound to ASN A 104
ChainResidue
ACYS69
ASER70
AASN104
ATYR105
ASER130
AASN132
AASN170
AGLY236
ASER237
AHOH1500
AHOH1502

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
ChainResidueDetails
ASER70

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING:
ChainResidueDetails
ALYS234

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PDB entries from 2024-11-06

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