Structure of PDB 2azq Chain A Binding Site BS01

Receptor Information

>2azq Chain A (length=309) Species: 303 (Pseudomonas putida)

VKISHTADIQAFFNQVAGLDHAEGKPRFKQIILRVLQDTARLIEDLEITE
DEFWHAVDYLNRLGGRNEAGLLAAGLGIEHFLDLLQDAKDAEAGLGGGTP
RTIEGPLYVAGAPLAQGEVRMDDGTDPGVVMFLQGQVFDANGKPLAGATV
DLWHANTQGTYSYFDSTQSEFNLRRRIITDAEGRYRARSIVPSGYGCDPQ
GPTQECLDLLGRHGQRPAHVHFFISAFGHRHLTTQINFAGDKYLWDDFAY
ATRDGLIGELRFVEDAAAARDRGVQGERFAELSFDFRLQGAQSPDAEARS
HRPRALQEG

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: 2azq Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2azq Structure of catechol 1,2-dioxygenase from Pseudomonas arvilla
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): Y162 Y196 H220 H222
• Binding residue (residue number reindexed from 1): Y161 Y195 H219 H221
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y162 Y196 R217 H220 H222
• Catalytic site (residue number reindexed from 1): Y161 Y195 R216 H219 H221
• Enzyme Commision number: 1.13.11.1: catechol 1,2-dioxygenase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0005506 iron ion binding
• GO:0008199 ferric iron binding
• GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
• GO:0018576 catechol 1,2-dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Biological Process

• GO:0009712 catechol-containing compound metabolic process
• GO:0019614 catechol-containing compound catabolic process
• GO:0042952 beta-ketoadipate pathway

External links

• PDB: RCSB:2azq, PDBe:2azq, PDBj:2azq
• PDBsum: 2azq
• PubMed: 16171781
• UniProt: Q51433