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

Summary for 7FX7

• Entry DOI: 10.2210/pdb7fx7/pdb
• Group deposition: To be published (G_1002264)
• Descriptor: Fatty acid-binding protein, adipocyte, 2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: lipid binding protein, fatty acid binding protein, cytoplasm, lipid-binding, transport, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 15562.96

Authors

Ehler, A.,Benz, J.,Obst, U.,Lubbers, T.,Rudolph, M.G. (deposition date: 2023-04-27, release date: 2023-06-14, Last modification date: 2024-11-20)

• Primary citation: Obst, U.,Magnone, C.,Kuhn, B.,Rudolph, M.G.; Crystal Structure of a human FABP4 complex; To be published,

Experimental method

X-RAY DIFFRACTION (1.12 Å)