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- PDB-4ze1: Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaco... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ze1 | |||||||||
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Title | Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site | |||||||||
![]() | Lanosterol 14-alpha demethylase | |||||||||
![]() | oxidoreductase/oxidoreductase inhibitor / CYP51 / oxidoreductase-oxidoreductase inhibitor complex / resistance mutation | |||||||||
Function / homology | ![]() ergosterol biosynthetic process / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / methyltransferase activity / methylation / iron ion binding / heme binding / endoplasmic reticulum / membrane Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Sagatova, A. / Keniya, M.V. / Wilson, R. / Tyndall, J.D.A. / Monk, B.C. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Authors: Sagatova, A.A. / Keniya, M.V. / Wilson, R.K. / Sabherwal, M. / Tyndall, J.D. / Monk, B.C. #1: ![]() Title: Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer. Authors: Monk, B.C. / Tomasiak, T.M. / Keniya, M.V. / Huschmann, F.U. / Tyndall, J.D. / O'Connell, J.D. / Cannon, R.D. / McDonald, J.G. / Rodriguez, A. / Finer-Moore, J.S. / Stroud, R.M. #2: ![]() Title: Structural insights into binding of the antifungal drug fluconazole to Saccharomyces cerevisiae lanosterol 14alpha-demethylase Authors: Sagatova, A. / Keniya, M.V. / Wilson, R.K. / Monk, B.C. / Tyndall, J.D. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 126.7 KB | Display | ![]() |
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PDB format | ![]() | 96.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4zdyC ![]() 4zdzC ![]() 4ze0C ![]() 4ze2C ![]() 4ze3C ![]() 5hs1C ![]() 4lxjS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 61869.215 Da / Num. of mol.: 1 / Mutation: Y140F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: YJM789 / Gene: ERG11, SCY_2394 / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-HEM / |
#3: Chemical | ChemComp-X2N / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.42 Å3/Da / Density % sol: 64 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / Details: 45% PEG 400, 0.1M Glycine / PH range: 9.3-9.55 |
-Data collection
Diffraction | Mean temperature: 93 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 20, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.954 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→37.45 Å / Num. obs: 52170 / % possible obs: 98.3 % / Redundancy: 5.5 % / Rmerge(I) obs: 0.082 / Net I/σ(I): 12.9 |
Reflection shell | Resolution: 2.05→2.11 Å / Redundancy: 5.5 % / % possible all: 98 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4LXJ Resolution: 2.05→29.96 Å / SU ML: 0.28 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 29.69 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.05→29.96 Å
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Refine LS restraints |
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LS refinement shell |
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