Structure of PDB 1axb Chain A Binding Site BS01

Receptor Information
>1axb Chain A (length=263) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVL
LCGAVLSRIDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSA
AITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPN
DERDTTMPVAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSAL
PAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNR
QIAEIGASLIKHW
Ligand information
Ligand IDFOS
InChIInChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
InChIKeyWUNKRZNFNIYEPN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)CNC(=O)OCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)NCP(=O)(O)O
ACDLabs 10.04O=P(O)(O)CNC(=O)OCc1ccccc1
FormulaC9 H12 N O5 P
Name[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE
ChEMBLCHEMBL1232804
DrugBankDB02642
ZINC
PDB chain1axb Chain A Residue 291 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1axb Crystal structure of an acylation transition-state analog of the TEM-1 beta-lactamase. Mechanistic implications for class A beta-lactamases.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S70 S130 N132 N170 G236 A237 G238 E240
Binding residue
(residue number reindexed from 1)		S45 S105 N107 N145 G211 A212 G213 E214
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S130 E166 K234 A237
Catalytic site (residue number reindexed from 1) S45 K48 S105 E141 K209 A212
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
Biological Process
GO:0017001 antibiotic catabolic process
GO:0030655 beta-lactam antibiotic catabolic process
GO:0046677 response to antibiotic

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Molecular Function
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Biological Process
External links
PDB RCSB:1axb, PDBe:1axb, PDBj:1axb
PDBsum1axb
PubMed9485412
UniProtP62593|BLAT_ECOLX Beta-lactamase TEM (Gene Name=bla)

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