Structure of PDB 7wkl Chain C Binding Site BS01

Receptor Information

>7wkl Chain C (length=339) Species: 5062 (Aspergillus oryzae)

HMLGKIALEEAFALPRFEEKTRWWASLFSTDAETHVKEITDINKIRIEHA
DKHGVGYQILSYTAPGVQDIWDPVEAQALAVEINDYIAEQVRVNPDRFGA
FATLSMHNPKEAADELRRCVEKYGFKGALVNDTQRAGPDGDDMIFYDNAD
WDIFWQTCTELDVPFYMHPRNPTGTIYEKLWADRKWLVGPPLSFAHGVSL
HVLGMVTNGVFDRHPKLQIIMGHLGEHVPFDMWRINHWFEDRKKLLGLAE
TCKKTIRDYFAENIWITTSGHFSTTTLNFCMAEVGSDRILFSIDYPYETF
SDACEWFDNAELNGTDRLKIGRENAKKLFKLDSYKDSSA

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7wkl Chain C Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7wkl Molecular mechanism of reversible decarboxylase with efficient CO2 fixation
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): E8 H167 D293
• Binding residue (residue number reindexed from 1): E9 H168 D294
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.1.46: o-pyrocatechuate decarboxylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016831 carboxy-lyase activity
• GO:0050150 o-pyrocatechuate decarboxylase activity

Biological Process

• GO:0019748 secondary metabolic process
• GO:0043640 benzoate catabolic process via hydroxylation

Cellular Component

• GO:0005575 cellular_component
• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:7wkl, PDBe:7wkl, PDBj:7wkl
• PDBsum: 7wkl
• UniProt: P80402|DBD23_ASPOR 2,3-dihydroxybenzoate decarboxylase (Gene Name=AO090005000447)