› 7g1a

X-ray diffraction
1.12Å resolution

Crystal Structure of human FABP4 in complex with 2-[(3S)-oxolan-3-yl]oxy-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c(c(c2c(n1)CCCCC2)c1ccccc1)C1=NN=NN1)O[C@@H]1COCC1 with IC50=0.0245494 microM

Released:
DOI: 10.2210/pdb7g1a/pdb
PDB entry 7g1a coloured by chain, front view.
PDB entry 7g1a coloured by chain, side view.
PDB entry 7g1a coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Ehler A, Benz J, Obst U, Buettelmann B, 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

3 bound ligands:
Ligand WN5 1 x WN5
Ligand SO4 3 x SO4
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: 32.433Å b: 53.646Å c: 74.88Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.154 0.189
Expression system: Escherichia coli BL21(DE3)

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