7FX7: Crystal Structure of human FABP4 with binding site mutated to FABP5 in complex with 5-methylsulfanyl-2-[(4-phenylmethoxy-1H-indazol-3-yl)methylsulfanyl]pyrimidin-4-ol, i.e. SMILES n1c(c(cnc1SCC1=NNc2c1c(OCc1ccccc1)ccc2)SC)O with IC50=0.372 microM

PDB ID: 7FX7Download
MMDB ID: 231311
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 7FX7: monomeric; determined by author and by software (PISA)
Molecular Components in 7FX7
Label Count Molecule
Protein (1 molecule)
1
Fatty Acid-binding Protein, Adipocyte
(Gene symbol: FABP4)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol
2
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
3
1
1,2-ETHANEDIOL1,2-ETHANEDIOL
* 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