7FYS: Crystal Structure of human FABP4 in complex with 7-(4-methoxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione, i.e. SMILES [C@@]12(C=C(c3ccc(cc3)OC)SCC2)SC(=O)NC1=O with IC50=4.5 microM

PDB ID: 7FYSDownload
MMDB ID: 231367
PDB Deposition Date: 2023/4/27
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.05  Å
Source Organism:
Similar Structures:
Biological Unit for 7FYS: monomeric; determined by author and by software (PISA)
Molecular Components in 7FYS
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
(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione
2
2
SULFATE IONSULFATE ION
3
1
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