Structure of PDB 3gts Chain A Binding Site BS02

Receptor Information

>3gts Chain A (length=341) Species: 40324 (Stenotrophomonas maltophilia)

ATFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPH
RFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNGARPASLNVRSFP
VVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTVGGYGHVDCNYKLL
VDNLMDLGHAQYVHRANAQTDAFDRLEREVIVGDGEIQALMKIPGGTPSV
LMAKFLRGANTPVDAWNDIRWNKVSAMLNFIAVAPEGTPKEQSIHSRGTH
ILTPETEASCHYFFGSSRNFGIDDPEMDGVLRSWQAQALVKEDKVVVEAI
ERRRAYVEANGIRPAMLSCDEAAVRVSREIEKLEQLEAARL

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: 3gts Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gts Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H160 H165 D294
• Binding residue (residue number reindexed from 1): H159 H164 D293
• 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:3gts, PDBe:3gts, PDBj:3gts
• PDBsum: 3gts
• PubMed: 19616009
• UniProt: Q5S3I3|DDMC_STEMA Dicamba O-demethylase, oxygenase component (Gene Name=ddmC)