+Open data
-Basic information
Entry | Database: PDB / ID: 4c0t | ||||||
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Title | Candida albicans PKh Kinase Domain | ||||||
Components | LIKELY PROTEIN KINASE | ||||||
Keywords | TRANSFERASE / PDK1 ORTHOLOG | ||||||
Function / homology | Function and homology information endocytosis / cell cortex / peptidyl-serine phosphorylation / non-specific serine/threonine protein kinase / intracellular signal transduction / protein serine/threonine kinase activity / lipid binding / ATP binding / nucleus Similarity search - Function | ||||||
Biological species | CANDIDA ALBICANS (yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.16 Å | ||||||
Authors | Schulze, J.O. / Pastor-Flores, D. / Biondi, R.M. | ||||||
Citation | Journal: Acs Chem.Biol. / Year: 2013 Title: The Pif-Pocket as a Target for C. Albicans Pkh Selective Inhibitors. Authors: Pastor-Flores, D. / Schulze, J.O. / Bahi, A. / Giacometti, R. / Ferrer-Dalmau, J. / Passeron, S. / Engel, M. / Suess, E. / Casamayor, A. / Biondi, R.M. | ||||||
History |
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Remark 650 | HELIX DETERMINATION METHOD: AUTHOR PROVIDED. | ||||||
Remark 700 | SHEET DETERMINATION METHOD: AUTHOR PROVIDED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4c0t.cif.gz | 85.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4c0t.ent.gz | 56.8 KB | Display | PDB format |
PDBx/mmJSON format | 4c0t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4c0t_validation.pdf.gz | 439.3 KB | Display | wwPDB validaton report |
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Full document | 4c0t_full_validation.pdf.gz | 441.4 KB | Display | |
Data in XML | 4c0t_validation.xml.gz | 12.4 KB | Display | |
Data in CIF | 4c0t_validation.cif.gz | 15.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c0/4c0t ftp://data.pdbj.org/pub/pdb/validation_reports/c0/4c0t | HTTPS FTP |
-Related structure data
Related structure data | 3hrcS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 110088.344 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) CANDIDA ALBICANS (yeast) / Strain: SC5314 Description: SYNTHETIC GENE BECAUSE CANDIDA HAS NON-UNIVERSAL CODON USAGE Plasmid: PFASTBAC / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) References: UniProt: Q5A3P6, non-specific serine/threonine protein kinase |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 45 % / Description: NONE |
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Crystal grow | pH: 5.6 Details: 100 MM AMMONIUM SULFATE, 30 % (W/V) PEG 4000, AND 100 MM SODIUM CITRATE/ CITRIC ACID (PH 5.6) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.91841 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 30, 2011 / Details: MIRRORS |
Radiation | Monochromator: SI-111 CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.91841 Å / Relative weight: 1 |
Reflection | Resolution: 3.16→70.9 Å / Num. obs: 5590 / % possible obs: 100 % / Observed criterion σ(I): 3 / Redundancy: 7.8 % / Biso Wilson estimate: 53.51 Å2 / Rmerge(I) obs: 0.17 / Net I/σ(I): 14.54 |
Reflection shell | Resolution: 3.16→3.26 Å / Redundancy: 8 % / Rmerge(I) obs: 0.8 / Mean I/σ(I) obs: 3 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3HRC Resolution: 3.16→70.859 Å / SU ML: 0.45 / σ(F): 2.02 / Phase error: 27.09 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.8 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.1 Å2 | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.16→70.859 Å
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Refine LS restraints |
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LS refinement shell |
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