Structure of PDB 1rxf Chain A Binding Site BS01

Receptor Information

>1rxf Chain A (length=264) Species: 1901 (Streptomyces clavuligerus)

DTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDLV
IDFFEHGSEAEKRAVTSPVPTMRRGFTGSMCYSMGTADNLFPSGDFERIW
TQYFDRQYTASRAVAREVLRATGTEPDGGVEAFLDCEPLLRFRYFMAPHY
DLSMVTLIQQTPCAGFVSLQAEVGGAFTDLPYRPDAVLVFCGAIATLVTG
GQVKAPRHHVAAPRTSSVFFLRPNADFTFSVPLARECGFDVSLDGETATF
QDWIGGNYVNIRRT

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 1rxf Chain A Residue 312

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1rxf Structure of a cephalosporin synthase.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): H183 D185 H243
• Binding residue (residue number reindexed from 1): H149 D151 H208
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R74
• Catalytic site (residue number reindexed from 1): R73
• 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

External links

• PDB: RCSB:1rxf, PDBe:1rxf, PDBj:1rxf
• PDBsum: 1rxf
• PubMed: 9723623
• UniProt: P18548|CEFE_STRCL Deacetoxycephalosporin C synthase (Gene Name=cefE)