Structure of PDB 1rxg Chain A Binding Site BS02

Receptor Information
>1rxg Chain A (length=275) Species: 1901 (Streptomyces clavuligerus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDL
VIDFFEHGSEAEKRAVTSPVPTMRRGFTGLESTGSYSDYSMCYSMGTADN
LFPSGDFERIWTQYFDRQYTASRAVAREVLRATGTEPDGGVEAFLDCEPL
LRFRYFPLRMAPHYDLSMVTLIQQTFVSLQAEVGGAFTDLPYRPDAVLVF
CGAIATLVTGGQVKAPRHHVAASRTSSVFFLRPNADFTFSVPLARECGFD
VSLDGETATFQDWIGGNYVNIRRTS
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain1rxg Chain A Residue 313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rxg Structure of a cephalosporin synthase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		M180 H183 H243 V245 R258 S260
Binding residue
(residue number reindexed from 1)		M160 H163 H218 V220 R224 S226
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R74
Catalytic site (residue number reindexed from 1) R74
Enzyme Commision number 1.14.20.1: deacetoxycephalosporin-C synthase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0031418 L-ascorbic acid binding
GO:0050599 deacetoxycephalosporin-C synthase activity
Biological Process
GO:0009058 biosynthetic process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1rxg, PDBe:1rxg, PDBj:1rxg
PDBsum1rxg
PubMed9723623
UniProtP18548|CEFE_STRCL Deacetoxycephalosporin C synthase (Gene Name=cefE)

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