7G0Z

Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-4-carboxylic acid, i.e. SMILES S1C(=C(C2=NC(=NO2)C2CC2)C2=C1CCCC2)NC(=O)C1=C(CCOC1)C(=O)O with IC50=0.48537 microM

Summary for 7G0Z

• Entry DOI: 10.2210/pdb7g0z/pdb
• Group deposition: To be published (G_1002264)
• Descriptor: Fatty acid-binding protein, adipocyte, 5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid (3 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: 15427.71

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 (0.84 Å)