Structure of PDB 1e5i Chain A Binding Site BS02

Receptor Information
>1e5i Chain A (length=264) Species: 1901 (Streptomyces clavuligerus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDI
VIDFFEHGSEAEKRAVTSPVPTMRRGFTGSMCYSMGTADNLFPSGDFERI
WTQYFDRQYTASRAVAREVLRATGTEPDGGVEAFLDCEPLLRFRYFPLRM
APHYDLSMVTLIQQTPCFVSLQAEVGGAFTDLPYRPDAVLVFCGAIATLV
TGGQVKAPRHHVAASRTSSVFFLRPNADFTFSVPLARECGFDVSLDGETA
TFQDWIGGNYVNIR
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 chain1e5i Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e5i Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R162 M180 H183 H243 R258 S260
Binding residue
(residue number reindexed from 1)		R144 M150 H153 H210 R216 S218
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:1e5i, PDBe:1e5i, PDBj:1e5i
PDBsum1e5i
PubMed11352583
UniProtP18548|CEFE_STRCL Deacetoxycephalosporin C synthase (Gene Name=cefE)

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