Structure of PDB 3gke Chain B Binding Site BS02

Receptor Information

>3gke Chain B (length=334) Species: 40324 (Stenotrophomonas maltophilia)

ATFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPH
RFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNGARPASLNVRSFP
VVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTVGGYGHVDCNYKLL
VDNLMDLGHAQYVHRANAQTDAFDRLEREVIVGDGEIQALMKIPGGTPSV
LMAKFPVDAWNDIRWNKVSAMLNFIAVAPEGTPKEQSIHSRGTHILTPET
EASCHYFFGSSRNFGIDDPEMDGVLRSWQAQALVKEDKVVVEAIERRRAY
VEANGIRPAMLSCDEAAVRVSREIEKLEQLEAAR

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: 3gke Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gke Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H160 H165 D294
• Binding residue (residue number reindexed from 1): H159 H164 D287
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.15.-

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0016491 oxidoreductase activity
• GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
• GO:0046872 metal ion binding
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:3gke, PDBe:3gke, PDBj:3gke
• PDBsum: 3gke
• PubMed: 19616011
• UniProt: Q5S3I3|DDMC_STEMA Dicamba O-demethylase, oxygenase component (Gene Name=ddmC)