Structure of PDB 2rdr Chain A Binding Site BS01

Receptor Information

>2rdr Chain A (length=264) Species: 33903 (Streptomyces avermitilis)

NVTGDYTDCTPLLGDRAALDSFYEEHGYLFLRNVLDRDLVKTVAEQMREG
LVALGAADPHATLEELTIDSFESVDEVAMHDYVKYDAFWNNPSTIKVFEQ
VFGEPVFVFLSTTIRYYPSQAGSEEPSFHYLTPFHQDGFYIGPNQDFRTF
WIPLIRTTRESGGVALADGSHRRGKRDHVLNESFRRFGHPVRGIPPTEVS
EDEHLLHSPMEPGDILLFHAHMCHKSIPNLSKDPRLMRMSMDTRVQPAKS
HRGFNAMTPWTESA

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: 2rdr Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2rdr Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H137 D139 H226
• Binding residue (residue number reindexed from 1): H135 D137 H224
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.11.35: 1-deoxypentalenic acid 11beta-hydroxylase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0016706 2-oxoglutarate-dependent dioxygenase activity
• GO:0031418 L-ascorbic acid binding
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Biological Process

• GO:0017000 antibiotic biosynthetic process
• GO:1901336 lactone biosynthetic process

External links

• PDB: RCSB:2rdr, PDBe:2rdr, PDBj:2rdr
• PDBsum: 2rdr
• PubMed: 17942405
• UniProt: Q82IZ1|PTLH_STRAW 1-deoxypentalenic acid 11-beta-hydroxylase (Gene Name=ptlH)