Structure of PDB 3hq0 Chain B Binding Site BS01

Receptor Information

>3hq0 Chain B (length=288) Species: 237609 (Pseudomonas alkylphenolica)

AMTGVLRPGHAQVRVLNLEEGIHFYRNVLGLVETGRDDQGRVYFKCWDER
DHSCYIIREADTAGIDFFGFKVLDKATLEKLDADLQAYGLTTTRIPAGEM
LETGERVRFELPSGHLIELYAEKTCVGNGISEVNPAPWNAQREHGIAPIQ
LDHCLLYGPNIAEVQKIFTEVLGFYLVERVLSPDGDSDMGIWLSCSHKVH
DIAFVEYPEKGKLHHCSFLLESWEQVLRAGDIMSMNEVNVDIGPTRHGVT
RGCTIYAWDPSGNRFETFMGGYHPYPDYEPLSWTYDNF

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: 3hq0 Chain B Residue 310

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hq0 Crystal structure and functional analysis of the extradiol dioxygenase LapB from a long-chain alkylphenol degradation pathway in Pseudomonas
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H154 H216 S218 E267
• Binding residue (residue number reindexed from 1): H153 H215 S217 E266
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H154 H201 H216 H248 Y257 E267
• Catalytic site (residue number reindexed from 1): H153 H200 H215 H247 Y256 E266
• Enzyme Commision number: 1.13.11.2: catechol 2,3-dioxygenase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008198 ferrous iron binding
• GO:0018577 catechol 2,3-dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:3hq0, PDBe:3hq0, PDBj:3hq0
• PDBsum: 3hq0
• PubMed: 19828456
• UniProt: Q7WYF5