Brand  (β version)

PDB ID: 5EAF

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Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe PoSSuM
FQC 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one PoSSuM
Non-standard Residues
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Structure summary

Code : 5EAF   PDBj   RCSB PDB   PDBe
Header : Oxidoreductase/Oxidoreducatse inhibitor
Title : Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Fluquinconazole
Release Data : 2016-02-10
Compound :
mol_id molecule chains
1 Lanosterol 14-alpha demethylase A,B
other_details: FQC is the small molecule Fluquinconazole
Source :
mol_id organism_scientific organism_common expression_system
1 Saccharomyces cerevisiae  (taxid:307796) Baker's yeast Saccharomyces cerevisiae  (taxid:4932)
strain: YJM789
gene: ERG11, SCY_2394
Authors : Tyndall, J.D.A., Sabherwal, M., Sagatova, A.A., Keniya, M.V., Wilson, R.K., Woods, M.V., Monk, B.C.
Keywords : CYP51, Fluquinconazole, oxidoreductase-oxidoreductase inhibitor complex, Oxidoreductase-Oxidoreducatse inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.6500 Å )
Citation :

Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.

Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.  et al.
(2016)  PLoS ONE  11 : e0167485 - e0167485

PubMed: 27907120
DOI: 10.1371/journal.pone.0167485

Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14alpha-Demethylase.

Sagatova, A.A.,Keniya, M.V.,Wilson, R.K.  et al.
(2015)  Antimicrob. Agents Chemother.  59 : 4982 - 4989

PubMed: 26055382
DOI: 10.1128/AAC.00925-15

Reaction

Chain : A, B
UniProt : A6ZSR0 (A6ZSR0_YEAS7)
Reaction: EC: Evidence:
Physiological Direction:
32-hydroxylanosterol + O2 + reduced [NADPH--hemoprotein reductase] = 32-oxolanosterol + H(+) + 2 H2O + oxidized [NADPH--hemoprotein reductase] - ARBA:ARBA00036809
left-to-right
32-oxolanosterol + O2 + reduced [NADPH--hemoprotein reductase] = 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol + formate + 2 H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - ARBA:ARBA00036056
left-to-right
a 14alpha-formyl steroid + O2 + reduced [NADPH--hemoprotein reductase] = a Delta(14) steroid + formate + 2 H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - ARBA:ARBA00036132
left-to-right
a 14alpha-hydroxymethyl steroid + O2 + reduced [NADPH--hemoprotein reductase] = a 14alpha-formyl steroid + H(+) + 2 H2O + oxidized [NADPH--hemoprotein reductase] - ARBA:ARBA00036638
left-to-right
a 14alpha-methyl steroid + 3 O2 + 3 reduced [NADPH--hemoprotein reductase] = a Delta(14) steroid + formate + 4 H(+) + 4 H2O + 3 oxidized [NADPH--hemoprotein reductase] 1.14.14.154 ARBA:ARBA00036116
left-to-right
a 14alpha-methyl steroid + O2 + reduced [NADPH--hemoprotein reductase] = a 14alpha-hydroxymethyl steroid + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - ARBA:ARBA00035798
left-to-right
lanosterol + 3 O2 + 3 reduced [NADPH--hemoprotein reductase] = 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol + formate + 4 H(+) + 4 H2O + 3 oxidized [NADPH--hemoprotein reductase] 1.14.14.154 ARBA:ARBA00036211
left-to-right
lanosterol + O2 + reduced [NADPH--hemoprotein reductase] = 32- hydroxylanosterol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - ARBA:ARBA00036569
left-to-right