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5AJR

Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((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)

Summary for 5AJR
Entry DOI10.2210/pdb5ajr/pdb
DescriptorSTEROL 14-ALPHA 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 (3 entities in total)
Functional Keywordscytochrome p450, cyp51, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane
Biological sourceTRYPANOSOMA CRUZI
Cellular locationMembrane ; Single-pass membrane protein : Q7Z1V1
Total number of polymer chains1
Total formula weight53696.78
Authors
Wawrzak, Z.,Hoekstra, W.,I Lepesheva, G. (deposition date: 2015-02-26, release date: 2015-12-02, Last modification date: 2024-01-10)
Primary citationHoekstra, W.J.,Hargrove, T.Y.,Wawrzak, Z.,Da Gama Jaen Batista, D.,Da Silva, C.F.,Nefertiti, A.S.G.,Rachakonda, G.,Schotzinger, R.J.,Villalta, F.,Soeiro, M.D.N.C.,Lepesheva, G.I.
Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi.
Antimicrob.Agents Chemother., 60:1058-, 2015
Cited by
PubMed: 26643331
DOI: 10.1128/AAC.02287-15
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.75 Å)
Structure validation

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