› 5hz9

X-ray diffraction
2.3Å resolution

human FABP3 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid

Released:
DOI: 10.2210/pdb5hz9/pdb
PDB entry 5hz9 coloured by chain, front view.
PDB entry 5hz9 coloured by chain, side view.
PDB entry 5hz9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M
Bioorg Med Chem Lett 26 5092-5097 (2016)
PMID: 27658368

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138660 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty acid-binding protein, heart Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 135 amino acids
Theoretical weight: 15.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05413 (Residues: 1-133; Coverage: 100%)
Gene names: FABP11, FABP3, MDGI
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

3 bound ligands:
Ligand SO4 19 x SO4
Ligand 5M8 17 x 5M8
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P43212
Unit cell:
a: 186.827Å b: 186.827Å c: 114.204Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.197 0.239
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Adipocyte fatty acid binding protein 4 (FABP4) inhibitors. A comprehensive systematic review.
Floresta et al. (2017)
2 other articles

5 mentions without citation

Network pharmacology of bioactives from Sorghum bicolor with targets related to diabetes mellitus.
Oh et al. (2020)
4 more