› 5hz8

X-ray diffraction
1.12Å resolution

FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

Released:
DOI: 10.2210/pdb5hz8/pdb
PDB entry 5hz8 coloured by chain, front view.
PDB entry 5hz8 coloured by chain, side view.
PDB entry 5hz8 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-147213 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty acid-binding protein, adipocyte Chain: A
Molecule details ›
Chain: A
Length: 135 amino acids
Theoretical weight: 15.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15090 (Residues: 1-132; Coverage: 100%)
Gene name: FABP4
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

2 bound ligands:
Ligand 65Z 1 x 65Z
Ligand DMS 4 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 35.4Å b: 55.768Å c: 74.373Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.145 0.144 0.171
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

1 mention without citation

Rational discovery of dual-indication multi-target PDE/Kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology.
Lim et al. (2019)