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6AYC

Naegleria fowleri CYP51-itraconazole complex

Summary for 6AYC
Entry DOI10.2210/pdb6ayc/pdb
Related5TL8 6AY4 6AY6 6AYB
DescriptorProtein CYP51, PROTOPORPHYRIN IX CONTAINING FE, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, ... (4 entities in total)
Functional Keywordscyp51, sterol 14alpha-demethylase, oxidoreductase
Biological sourceNaegleria fowleri (Brain eating amoeba)
Total number of polymer chains1
Total formula weight54882.11
Authors
Debnath, A.,Calvet, C.M.,Jennings, G.,Zhou, W.,Aksenov, A.,Luth, M.,Abagyan, R.,Nes, W.D.,McKerrow, J.H.,Podust, L.M. (deposition date: 2017-09-08, release date: 2017-11-22, Last modification date: 2023-10-04)
Primary citationDebnath, A.,Calvet, C.M.,Jennings, G.,Zhou, W.,Aksenov, A.,Luth, M.R.,Abagyan, R.,Nes, W.D.,McKerrow, J.H.,Podust, L.M.
CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11:e0006104-e0006104, 2017
Cited by
PubMed: 29284029
DOI: 10.1371/journal.pntd.0006104
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.6 Å)
Structure validation

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