› 1hyo

X-ray diffraction
1.3Å resolution

CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH 4-(HYDROXYMETHYLPHOSPHINOYL)-3-OXO-BUTANOIC ACID

Released:
DOI: 10.2210/pdb1hyo/pdb
PDB entry 1hyo coloured by chain, front view.
PDB entry 1hyo coloured by chain, side view.
PDB entry 1hyo coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Mechanistic inferences from the crystal structure of fumarylacetoacetate hydrolase with a bound phosphorus-based inhibitor.
Bateman RL, Bhanumoorthy P, Witte JF, McClard RW, Grompe M, Timm DE
J Biol Chem 276 15284-91 (2001)
PMID: 11154690

Function and Biology Details

Reaction catalysed: 
4-fumarylacetoacetate + H(2)O = acetoacetate + fumarate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152933 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fumarylacetoacetase Chains: A, B
Molecule details ›
Chains: A, B
Length: 421 amino acids
Theoretical weight: 46.3 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P35505 (Residues: 1-419; Coverage: 100%)
Gene name: Fah
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand MG 2 x MG
Ligand CA 2 x CA
Ligand ACT 2 x ACT
Ligand HBU 2 x HBU
Ligand NI 1 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: P21
Unit cell:
a: 64.102Å b: 109.458Å c: 67.459Å
α: 90° β: 102.37° γ: 90°
R-values:
R R work R free
0.181 0.181 0.199
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Emergent mechanistic diversity of enzyme-catalysed beta-diketone cleavage.
Grogan G. (2005)
1 more

7 mentions without citation

Slow-onset inhibition of fumarylacetoacetate hydrolase by phosphinate mimics of the tetrahedral intermediate: kinetics, crystal structure and pharmacokinetics.
Bateman et al. (2007)
6 more