› 7g1n

X-ray diffraction
1.55Å resolution

Crystal Structure of human FABP4 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1(=C(C2=C(S1)CCCC2)C1=NC(=NO1)C)NC(=O)[C@@H]1[C@H](CCCC1)C(=O)O with IC50=0.365 microM

Released:
DOI: 10.2210/pdb7g1n/pdb
PDB entry 7g1n coloured by chain, front view.
PDB entry 7g1n coloured by chain, side view.
PDB entry 7g1n coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Ehler A, Benz J, Obst U, Neidhart W, Rudolph MG

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

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: 15.02 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

Ligands and Environments

2 bound ligands:
Ligand WP0 1 x WP0
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 35.276Å b: 55.039Å c: 74.209Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.167 0.22
Expression system: Escherichia coli BL21(DE3)

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