PDBe 4di9

X-ray diffraction
1.35Å resolution

CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 6.5

Released:

Function and Biology Details

Reaction catalysed:
2-oxo-2H-pyran-4,6-dicarboxylate + H(2)O = (1E)-4-oxobut-1-ene-1,2,4- tricarboxylate. 
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-pyrone-4,6-dicarbaxylate hydrolase Chain: A
Molecule details ›
Chain: A
Length: 303 amino acids
Theoretical weight: 33.99 KDa
Source organism: Sphingomonas paucimobilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O87170 (Residues: 2-293; Coverage: 100%)
Gene name: ligI
Sequence domains: Amidohydrolase
Structure domains: Metal-dependent hydrolases

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2
Unit cell:
a: 73.552Å b: 50.952Å c: 73.346Å
α: 90° β: 91.86° γ: 90°
R-values:
R R work R free
0.161 0.16 0.183
Expression system: Escherichia coli BL21(DE3)