Structure of PDB 1e5i Chain A Binding Site BS01

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 IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain1e5i Chain A Residue 901 [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)		H183 D185 H243
Binding residue
(residue number reindexed from 1)		H153 D155 H210
Annotation score1
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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