7FW0: Crystal Structure of human FABP4 in complex with 3-methyl-2-(2,4,5-trichlorophenyl)sulfanylbutanoic acid, i.e. SMILES c1(c(cc(c(c1)Cl)S[C@@H](C(=O)O)C(C)C)Cl)Cl with IC50=3.5 microM

PDB ID: 7FW0Download
MMDB ID: 231268
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 7FW0: monomeric; determined by author and by software (PISA)
Molecular Components in 7FW0
Label Count Molecule
Protein (1 molecule)
1
Fatty Acid-binding Protein, Adipocyte
(Gene symbol: FABP4)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
3
(2S)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid(2S)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid
2
2
SULFATE IONSULFATE ION
3
1
(2S)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid(2S)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid
4
1
FORMIC ACIDFORMIC ACID
* 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