3mfl

X-ray diffraction
1.78Å resolution

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

Released:
Source organism: Pseudomonas putida
Entry authors: Purpero VM, Lipscomb JD

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero 24-mer (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


No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: I222
Unit cell:
a: 128.319Å b: 140.769Å c: 168.183Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.157 0.185
Expression system: Escherichia coli BL21(DE3)