7FW2: Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1COc1ccc(Cl)cc1)S)CC=C with IC50=0.833 microM

PDB ID: 7FW2Download
MMDB ID: 231270
PDB Deposition Date: 2023/4/27
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.12  Å
Source Organism:
Similar Structures:
Biological Unit for 7FW2: monomeric; determined by author and by software (PISA)
Molecular Components in 7FW2
Label Count Molecule
Protein (1 molecule)
1
Fatty Acid-binding Protein, Adipocyte
(Gene symbol: FABP4)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
2
2
SULFATE IONSULFATE ION
3
2
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
* 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