› 7ezp

X-ray diffraction
2.8Å resolution

Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase

Released:
DOI: 10.2210/pdb7ezp/pdb
PDB entry 7ezp coloured by chain, front view.
PDB entry 7ezp coloured by chain, side view.
PDB entry 7ezp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Wang X, Zhao R, Ji W, Zhou J, Liu Q, Zhao L, Shen Z, Liu S, Xu B
ACS Med Chem Lett 13 118-127 (2022)
PMID: 35059131

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: 338 amino acids
Theoretical weight: 36.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09467 (Residues: 1-338; Coverage: 100%)
Gene names: FBP, FBP1
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand FBP 4 x FBP
Ligand 0GI 4 x 0GI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P21
Unit cell:
a: 67.1Å b: 143Å c: 73.6Å
α: 90° β: 107.74° γ: 90°
R-values:
R R work R free
0.212 0.21 0.256
Expression system: Escherichia coli

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Citations

1 citations in other articles

Beet leaf (beta vulgaris L.) extract attenuates iron-induced testicular toxicity: Experimental and computational approach.
Ojo et al. (2023)

1 mention without citation

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