› 7wjv

X-ray diffraction
1.72Å resolution

Crystal structure of human liver FBPase complexed with an covalent inhibitor

Released:
DOI: 10.2210/pdb7wjv/pdb
PDB entry 7wjv coloured by chain, front view.
PDB entry 7wjv coloured by chain, side view.
PDB entry 7wjv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
N-Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
Wen W, Cao H, Xu Y, Ren Y, Rao L, Shao X, Chen H, Wu L, Liu J, Su C, Peng C, Huang Y, Wan J
J Med Chem (2022)
PMID: 35786925

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, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 348 amino acids
Theoretical weight: 38.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P09467 (Residues: 1-338; Coverage: 100%)
Gene names: FBP, FBP1
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand AMP 4 x AMP
Ligand LSA 1 x LSA
Ligand MG 2 x MG
Ligand PMQ 1 x PMQ
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 67.641Å b: 83.617Å c: 278.717Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.174 0.198
Expression system: Escherichia coli BL21(DE3)

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