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- PDB-7v6g: Structure of Candida albicans Fructose-1,6-bisphosphate aldolase ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7v6g | ||||||
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Title | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39 | ||||||
![]() | Fructose-bisphosphate aldolase![]() | ||||||
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Function / homology | ![]() : / hyphal cell wall / fungal-type cell wall / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Cao, H. / Huang, Y. / Chen, H. / Wan, C. / Ren, Y. / Wan, J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. Authors: Wen, W. / Cao, H. / Huang, Y. / Tu, J. / Wan, C. / Wan, J. / Han, X. / Chen, H. / Liu, J. / Rao, L. / Su, C. / Peng, C. / Sheng, C. / Ren, Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 145.2 KB | Display | ![]() |
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PDB format | ![]() | 111 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6lnkSC ![]() 7v6fC 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: 40076.078 Da / Num. of mol.: 2 / Mutation: C157S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ![]() #4: Chemical | #5: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.62 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, hanging drop / Details: 100 mM Hepes pH =7.5, 11% (w/v) PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 21, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.343→39.821 Å / Num. obs: 30829 / % possible obs: 99.38 % / Redundancy: 6.7 % / CC1/2: 0.997 / Net I/σ(I): 12.29 |
Reflection shell | Resolution: 2.343→2.427 Å / Num. unique obs: 3029 / CC1/2: 0.871 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 6LNK Resolution: 2.343→39.821 Å / SU ML: 0.29 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 29.16 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 107.07 Å2 / Biso mean: 56.0309 Å2 / Biso min: 30.42 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.343→39.821 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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