+Open data
-Basic information
Entry | Database: PDB / ID: 2vkn | |||||||||
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Title | YEAST SHO1 SH3 DOMAIN COMPLEXED WITH A PEPTIDE FROM PBS2 | |||||||||
Components |
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Keywords | MEMBRANE PROTEIN / MEMBRANE / SH3 DOMAIN / S. CEREVISIAE / TRANSMEMBRANE | |||||||||
Function / homology | Function and homology information : / : / HICS complex / : / Oxidative Stress Induced Senescence / signal transduction involved in filamentous growth / Clathrin-mediated endocytosis / NatB complex / PI5P Regulates TP53 Acetylation / : ...: / : / HICS complex / : / Oxidative Stress Induced Senescence / signal transduction involved in filamentous growth / Clathrin-mediated endocytosis / NatB complex / PI5P Regulates TP53 Acetylation / : / cellular bud / osmosensor activity / peptide alpha-N-acetyltransferase activity / cellular bud tip / osmosensory signaling pathway / mitogen-activated protein kinase kinase / MAP-kinase scaffold activity / cellular bud neck / mating projection tip / cellular hyperosmotic response / hyperosmotic response / establishment of cell polarity / MAP kinase kinase activity / actin filament organization / cell periphery / cytoplasmic stress granule / protein import into nucleus / protein tyrosine kinase activity / membrane => GO:0016020 / protein kinase activity / response to antibiotic / protein phosphorylation / protein serine/threonine kinase activity / endoplasmic reticulum / ATP binding / plasma membrane / cytoplasm Similarity search - Function | |||||||||
Biological species | SACCHAROMYCES CEREVISIAE (brewer's yeast) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å | |||||||||
Authors | Kursula, P. / Kursula, I. / Song, Y.H. / Paraskevopoulos, K. / Wilmanns, M. | |||||||||
Citation | Journal: To be Published Title: Structural Genomics of Yeast SH3 Domains Authors: Kursula, P. / Kursula, I. / Pinotsis, N. / Song, Y.H. / Lehmann, F. / Zou, P. / Wilmanns, M. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2vkn.cif.gz | 30.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2vkn.ent.gz | 20.7 KB | Display | PDB format |
PDBx/mmJSON format | 2vkn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vk/2vkn ftp://data.pdbj.org/pub/pdb/validation_reports/vk/2vkn | HTTPS FTP |
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-Related structure data
Related structure data | 2v1qC 2v1rC 2qk6 S: Starting model for refinement C: citing same article (ref.) |
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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: 8204.886 Da / Num. of mol.: 1 / Fragment: SH3 DOMAIN, RESIDUES 298-367 Source method: isolated from a genetically manipulated source Source: (gene. exp.) SACCHAROMYCES CEREVISIAE (brewer's yeast) Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P40073 | ||
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#2: Protein/peptide | Mass: 1204.438 Da / Num. of mol.: 1 / Fragment: PROLINE-RICH DOMAIN, RESIDUES 2-13 / Source method: obtained synthetically / Source: (synth.) SACCHAROMYCES CEREVISIAE (brewer's yeast) References: UniProt: P08018, mitogen-activated protein kinase kinase | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.08 % / Description: NONE |
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 8.5 Details: 2.3M AMMONIUM SULPHATE, 0.1M TRIS-HCL, PH 8.5, VAPOR DIFFUSION, HANGING DROP |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 1.25 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Nov 14, 2006 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.25 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→20 Å / Num. obs: 5525 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / Redundancy: 5.5 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 14.8 |
Reflection shell | Resolution: 2.05→2.1 Å / Redundancy: 5.5 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 2.8 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2QK6 2qk6 Resolution: 2.05→10 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.93 / SU B: 10.906 / SU ML: 0.139 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.178 / ESU R Free: 0.177 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.6 Å2
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Refinement step | Cycle: LAST / Resolution: 2.05→10 Å
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