7FX0: Crystal Structure of human FABP4 in complex with 5-[(2-chloroanilino)methyl]-4-ethyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1CNc1c(Cl)cccc1)S)CC with IC50=0.705 microM

PDB ID: 7FX0Download
MMDB ID: 231304
PDB Deposition Date: 2023/4/27
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.03  Å
Source Organism:
Similar Structures:
Biological Unit for 7FX0: monomeric; determined by author and by software (PISA)
Molecular Components in 7FX0
Label Count Molecule
Protein (1 molecule)
1
Fatty Acid-binding Protein, Adipocyte
(Gene symbol: FABP4)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
1
FORMIC ACIDFORMIC ACID
2
2
SULFATE IONSULFATE ION
3
1
5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303