› 2fie

X-ray diffraction
2.81Å resolution

Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors

Released:
DOI: 10.2210/pdb2fie/pdb
PDB entry 2fie coloured by chain, front view.
PDB entry 2fie coloured by chain, side view.
PDB entry 2fie coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Lai C, Gum RJ, Daly M, Fry EH, Hutchins C, Abad-Zapatero C, von Geldern TW
Bioorg Med Chem Lett 16 1807-10 (2006)
PMID: 16446092

Function and Biology Details

Reaction catalysed: 
D-fructose 1,6-bisphosphate + H(2)O = D-fructose 6-phosphate + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140663 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fructose-1,6-bisphosphatase 1 Chains: A, D, H, L
Molecule details ›
Chains: A, D, H, L
Length: 338 amino acids
Theoretical weight: 36.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09467 (Residues: 1-338; Coverage: 100%)
Gene names: FBP, FBP1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand A74 4 x A74
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 67.369Å b: 83.327Å c: 277.556Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.197 0.266
Expression system: Escherichia coli

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Citations

1 review citation

Recent and emerging anti-diabetes targets.
Mohler et al. (2009)
22 other articles

3 mentions without citation

Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Wang et al. (2022)
2 more