› 3hjq

X-ray diffraction
2Å resolution

Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with 3-methylcatechol

Released:
DOI: 10.2210/pdb3hjq/pdb
PDB entry 3hjq coloured by chain, front view.
PDB entry 3hjq coloured by chain, side view.
PDB entry 3hjq coloured by chain, top view.
Source organism: Rhodococcus opacus
Primary publication:
Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
Matera I, Ferraroni M, Kolomytseva M, Golovleva L, Scozzafava A, Briganti F
J Struct Biol 170 548-64 (2010)
PMID: 20040374

Function and Biology Details

Reaction catalysed: 
Catechol + O(2) = cis,cis-muconate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161168 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Catechol 1,2-dioxygenase Chain: A
Molecule details ›
Chain: A
Length: 280 amino acids
Theoretical weight: 30.73 KDa
Source organism: Rhodococcus opacus
UniProt:
  • Canonical: P95607 (Residues: 1-270; Coverage: 100%)
Gene name: catA
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand FE 1 x FE
Ligand 6PL 1 x 6PL
Ligand MBD 1 x MBD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: C2
Unit cell:
a: 88.938Å b: 37.585Å c: 74.81Å
α: 90° β: 94.96° γ: 90°
R-values:
R R work R free
0.229 0.227 0.273

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Citations

3 review citations

Opportunities and challenges in biological lignin valorization.
Beckham et al. (2016)
2 more