3TIK

Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one

Summary for 3TIK

• Entry DOI: 10.2210/pdb3tik/pdb
• Related: 3g1q
• Descriptor: sterol 14-alpha demethylase (CYP51), PROTOPORPHYRIN IX CONTAINING FE, 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, ... (4 entities in total)
• Functional Keywords: sterol 14-alpha demethylase, cyp51, heme, monooxygenase, sterol biosynthesis, cytochrome p450 fold, oxidoreductase, cytochrome p450 reductase, endoplasmic reticulum membrane
• Biological source: Trypanosoma brucei
• Total number of polymer chains: 4
• Total formula weight: 209700.00

Authors

Hargrove, T.Y.,Wawrzak, Z.,Kraus, J.M.,Gelb, M.H.,Buckner, F.S.,Waterman, M.R.,Lepesheva, G.I. (deposition date: 2011-08-20, release date: 2012-07-11, Last modification date: 2023-09-13)

• Primary citation: Buckner, F.S.,Bahia, M.T.,Suryadevara, P.K.,White, K.L.,Shackleford, D.M.,Chennamaneni, N.K.,Hulverson, M.A.,Laydbak, J.U.,Chatelain, E.,Scandale, I.,Verlinde, C.L.,Charman, S.A.,Lepesheva, G.I.,Gelb, M.H.; Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.; Antimicrob.Agents Chemother., 56:4914-4921, 2012; PubMed: 22777048; DOI: 10.1128/AAC.06244-11

Experimental method

X-RAY DIFFRACTION (2.05 Å)