5W0C

Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex

Summary for 5W0C

Entry DOI	10.2210/pdb5w0c/pdb
Descriptor	Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate, ... (5 entities in total)
Functional Keywords	inhibitor complex, p450 monooxygenase, cytochrome p450 2c9, cyp2c9, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	55407.88
Authors	Johnson, E.F.,Hsu, M.-H. (deposition date: 2017-05-30, release date: 2017-09-13, Last modification date: 2023-10-04)
Primary citation	Liu, R.,Lyu, X.,Batt, S.M.,Hsu, M.H.,Harbut, M.B.,Vilcheze, C.,Cheng, B.,Ajayi, K.,Yang, B.,Yang, Y.,Guo, H.,Lin, C.,Gan, F.,Wang, C.,Franzblau, S.G.,Jacobs, W.R.,Besra, G.S.,Johnson, E.F.,Petrassi, M.,Chatterjee, A.K.,Futterer, K.,Wang, F. Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56:13011-13015, 2017 Cited by PubMed: 28815830 DOI: 10.1002/anie.201707324 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.001 Å)

Structure validation