7G0O

Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid, i.e. SMILES C1(=C(CCCC1)C(=O)NC1=C(C(=C(C)S1)C)C1=NC(=NO1)C1CC1)C(=O)O with IC50=0.0950978 microM

Summary for 7G0O

• Entry DOI: 10.2210/pdb7g0o/pdb
• Group deposition: To be published (G_1002264)
• Descriptor: Fatty acid-binding protein, adipocyte, DIMETHYL SULFOXIDE, 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid, ... (4 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: 15555.96

Authors

Ehler, A.,Benz, J.,Obst, U.,Richter, H.,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 binding site mutated to that of FABP5 complex; To be published,

Experimental method

X-RAY DIFFRACTION (1.32 Å)