7ZEJ

Crystal structure of the human MGC45594 gene product in complex with celecoxib.

Summary for 7ZEJ

• Entry DOI: 10.2210/pdb7zej/pdb
• Related: 2C0C 2WEK 2X1H 2X7H
• Descriptor: Prostaglandin reductase 3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... (4 entities in total)
• Functional Keywords: alkenal reductases, prostaglandin reductases, phase 1 xenobiotic metabolism, reactive oxygen species, lipid peroxidation, polyunsaturated fatty acid, inflammation, lipid mediator metabolism, structural genomics, structural genomics consortium, sgc, oxidoreductase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 74751.01

Authors

Shafqat, N.,Yue, W.W.,Koekemoer, L.,Niesen, F.,Ugochukwu, E.,Vollmar, M.,Weigelt, J.,Krojer, T.,Pike, A.,Chaikaud, A.,Von Delft, F.,Arrowsmith, C.,Bountra, C.,Edwards, A.,Opperman, U.,Structural Genomics Consortium (SGC) (deposition date: 2022-03-31, release date: 2022-05-04, Last modification date: 2024-01-31)

• Primary citation: Shafqat, N.,Dakin, S.G.,Estrada, F.M.,Niesen, F.H.,Wells, G.,Yapp, C.,Troumpra, M.K.,Brotherton, D.,Porte, S.,Mesa, J.,Yakovtseva, E.,Farres, J.,Pares, X.,Liu, T.,Altman, R.,Carr, A.,Koekemoer, L.,Niesen, F.,Yue, W.W.,Opperman, U.; Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.79 Å)