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- PDB-3e6y: Structure of 14-3-3 in complex with the differentiation-inducing ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3e6y | ||||||
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Title | Structure of 14-3-3 in complex with the differentiation-inducing agent Cotylenin A | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ottmann, C. / Weyand, M. / Wittinghofer, A. / Oecking, C. | ||||||
![]() | ![]() Title: A structural rationale for selective stabilization of anti-tumor interactions of 14-3-3 proteins by cotylenin A Authors: Ottmann, C. / Weyand, M. / Sassa, T. / Inoue, T. / Kato, N. / Wittinghofer, A. / Oecking, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 110.4 KB | Display | ![]() |
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PDB format | ![]() | 84 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1o9cS S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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3 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 29399.977 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Protein/peptide | Mass: 676.610 Da / Num. of mol.: 2 / Source method: obtained synthetically Details: The peptide was chemically synthesized. It is found naturally in Arabidopsis thaliana References: UniProt: Q40409*PLUS #3: Chemical | #4: Chemical | ChemComp-CL / | ![]() #5: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.31 Å3/Da / Density % sol: 46.83 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.1 Details: 0.1M Na citrate, 24% PEG 4000, 6% isopropanol, 5 mM MgCl2, 2 mM DTT, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jun 26, 2004 |
Radiation | Monochromator: Diamond (111), Ge(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.5→15 Å / Num. all: 18639 / Num. obs: 18639 / % possible obs: 98.2 % / Observed criterion σ(F): -3 / Redundancy: 3.72 % / Biso Wilson estimate: 49.3 Å2 / Rmerge(I) obs: 0.051 / Rsym value: 0.038 / Net I/σ(I): 28.7 |
Reflection shell | Resolution: 2.5→2.6 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.214 / Mean I/σ(I) obs: 6.3 / Num. unique all: 2077 / Rsym value: 0.233 / % possible all: 98.2 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1O9C Resolution: 2.5→14.95 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.873 / SU B: 30.977 / SU ML: 0.298 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.705 / ESU R Free: 0.342 / 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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.184 Å2
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Refinement step | Cycle: LAST / Resolution: 2.5→14.95 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.5→2.563 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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