› 3mv6

X-ray diffraction
1.86Å resolution

Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase

Released:
DOI: 10.2210/pdb3mv6/pdb
PDB entry 3mv6 coloured by chain, front view.
PDB entry 3mv6 coloured by chain, side view.
PDB entry 3mv6 coloured by chain, top view.
Source organism: Pseudomonas putida
Entry authors: Purpero VM, Lipscomb JD

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 analysis Details

Assembly composition:
hetero 24-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132482 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Protocatechuate 3,4-dioxygenase alpha chain Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 200 amino acids
Theoretical weight: 22.28 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00436 (Residues: 2-201; Coverage: 100%)
Gene name: pcaG
Sequence domains: Dioxygenase
Structure domains: Aromatic compound dioxygenase
Protocatechuate 3,4-dioxygenase beta chain Chains: M, N, O
Molecule details ›
Chains: M, N, O
Length: 238 amino acids
Theoretical weight: 26.7 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00437 (Residues: 2-239; Coverage: 100%)
Gene name: pcaH
Sequence domains:
Structure domains: Aromatic compound dioxygenase

Ligands and Environments

6 bound ligands:
Ligand SO4 7 x SO4
Ligand GOL 3 x GOL
Ligand BME 6 x BME
Ligand FE 3 x FE
Ligand DHB 3 x DHB
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: I222
Unit cell:
a: 128.142Å b: 140.831Å c: 167.83Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.219
Expression system: Escherichia coli BL21(DE3)

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