› 1eob

X-ray diffraction
2.2Å resolution

CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 3,4-DIHYDROXYBENZOATE

Released:
DOI: 10.2210/pdb1eob/pdb
PDB entry 1eob coloured by chain, front view.
PDB entry 1eob coloured by chain, side view.
PDB entry 1eob coloured by chain, top view.
Source organism: Acinetobacter baylyi ADP1
Primary publication:
Structure of Acinetobacter strain ADP1 protocatechuate 3, 4-dioxygenase at 2.2 A resolution: implications for the mechanism of an intradiol dioxygenase.
Vetting MW, D'Argenio DA, Ornston LN, Ohlendorf DH
Biochemistry 39 7943-55 (2000)
PMID: 10891075

Function and Biology Details

Reaction catalysed: 
3,4-dihydroxybenzoate + O(2) = 3-carboxy-cis,cis-muconate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero 24-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148968 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Protocatechuate 3,4-dioxygenase alpha chain Chain: A
Molecule details ›
Chain: A
Length: 209 amino acids
Theoretical weight: 23.51 KDa
Source organism: Acinetobacter baylyi ADP1
Expression system: Escherichia coli
UniProt:
  • Canonical: P20371 (Residues: 1-209; Coverage: 100%)
Gene names: ACIAD1712, pcaG
Sequence domains: Dioxygenase
Structure domains: Aromatic compound dioxygenase
Protocatechuate 3,4-dioxygenase beta chain Chain: B
Molecule details ›
Chain: B
Length: 241 amino acids
Theoretical weight: 27.58 KDa
Source organism: Acinetobacter baylyi ADP1
Expression system: Escherichia coli
UniProt:
  • Canonical: P20372 (Residues: 1-241; Coverage: 100%)
Gene names: ACIAD1711, pcaH
Sequence domains:
Structure domains: Aromatic compound dioxygenase

Ligands and Environments

2 bound ligands:
Ligand FE 1 x FE
Ligand DHB 1 x DHB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: I23
Unit cell:
a: 144.4Å b: 144.4Å c: 144.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.182 0.222
Expression system: Escherichia coli

Quick links

Citations

6 review citations

The ins and outs of ring-cleaving dioxygenases.
Vaillancourt et al. (2006)
5 more

2 mentions without citation

Automated identification of protein-ligand interaction features using Inductive Logic Programming: a hexose binding case study.
A Santos et al. (2012)
1 more