8EKT

CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1)

Summary for 8EKT

• Entry DOI: 10.2210/pdb8ekt/pdb
• Related: 7UWP
• Descriptor: sterol 14a-demethylase, PROTOPORPHYRIN IX CONTAINING FE, (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, ... (4 entities in total)
• Functional Keywords: cytochrome p450, cyp51, sterol 14alpha-demethylase, sterol biosynthesis, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Acanthamoeba castellanii
• Total number of polymer chains: 6
• Total formula weight: 321547.23

Authors

Hargrove, T.Y.,Wawrzak, Z.,Lepesheva, G.I. (deposition date: 2022-09-21, release date: 2023-08-02)

• Primary citation: Hargrove, T.Y.,Wawrzak, Z.,Lepesheva, G.I.; CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based inhibitor VT-1161; to be published,

Experimental method

X-RAY DIFFRACTION (2.29 Å)