Structure of PDB 3hpv Chain C Binding Site BS01

Receptor Information

>3hpv Chain C (length=288) Species: 237609 (Pseudomonas alkylphenolica)

AMTGVLRPGHAQVRVLNLEEGIHFYRNVLGLVETGRDDQGRVYFKCWDER
DHSCYIIREADTAGIDFFGFKVLDKATLEKLDADLQAYGLTTTRIPAGEM
LETGERVRFELPSGHLIELYAEKTCVGNGISEVNPAPWNAQREHGIAPIQ
LDHCLLYGPNIAEVQKIFTEVLGFYLVERVLSPDGDSDMGIWLSCSHKVH
DIAFVEYPEKGKLHHCSFLLESWEQVLRAGDIMSMNEVNVDIGPTRHGVT
RGCTIYAWDPSGNRFETFMGGYHPYPDYEPLSWTYDNF

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 3hpv Chain C Residue 310

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hpv Crystal structure and functional analysis of the extradiol dioxygenase LapB from a long-chain alkylphenol degradation pathway in Pseudomonas
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H154 H216 E267
• Binding residue (residue number reindexed from 1): H153 H215 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:3hpv, PDBe:3hpv, PDBj:3hpv
• PDBsum: 3hpv
• PubMed: 19828456
• UniProt: Q7WYF5