4C28
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Summary for 4C28
Entry DOI | 10.2210/pdb4c28/pdb |
Related | 4C27 |
Descriptor | STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide, ... (6 entities in total) |
Functional Keywords | oxidoreductase, sterol biosynthesis, chagas disease |
Biological source | TRYPANOSOMA CRUZI |
Cellular location | Membrane ; Single-pass membrane protein : Q7Z1V1 |
Total number of polymer chains | 2 |
Total formula weight | 109126.13 |
Authors | Vieira, D.F.,Calvet, C.M.,Choi, J.Y.,Cameron, M.D.,Gut, J.,Kellar, D.,Siqueira-Neto, J.L.,McKerrow, J.H.,Roush, W.R.,Podust, L.M. (deposition date: 2013-08-16, release date: 2014-09-03, Last modification date: 2023-12-20) |
Primary citation | Vieira, D.F.,Choi, J.Y.,Calvet, C.M.,Siqueira-Neto, J.L.,Johnston, J.B.,Kellar, D.,Gut, J.,Cameron, M.D.,Mckerrow, J.H.,Roush, W.R.,Podust, L.M. Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57:10162-, 2014 Cited by PubMed: 25393646DOI: 10.1021/JM501568B PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.03 Å) |
Structure validation
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