› 6ls5

X-ray diffraction
2.03Å resolution

Structure of human liver FBPase complexed with covalent allosteric inhibitor

Released:
DOI: 10.2210/pdb6ls5/pdb
PDB entry 6ls5 coloured by chain, front view.
PDB entry 6ls5 coloured by chain, side view.
PDB entry 6ls5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.
Huang Y, Xu Y, Song R, Ni S, Liu J, Xu Y, Ren Y, Rao L, Wang Y, Wei L, Feng L, Su C, Peng C, Li J, Wan J
J Med Chem 63 6238-6247 (2020)
PMID: 32375478

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: 353 amino acids
Theoretical weight: 38.78 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

3 bound ligands:
Ligand EUF 1 x EUF
Ligand AMP 4 x AMP
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 67.599Å b: 83.523Å c: 276.929Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.237
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Application of Disulfiram and its Metabolites in Treatment of Inflammatory Disorders.
Guo et al. (2021)
5 other articles