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- PDB-7jur: Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allos... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7jur | |||||||||
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Title | Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib | |||||||||
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![]() | TRANSFERASE/TRANSFERASE INHIBITOR / ![]() ![]() ![]() ![]() | |||||||||
Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Khan, Z.M. / Dar, A.C. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural basis for the action of the drug trametinib at KSR-bound MEK. Authors: Khan, Z.M. / Real, A.M. / Marsiglia, W.M. / Chow, A. / Duffy, M.E. / Yerabolu, J.R. / Scopton, A.P. / Dar, A.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 | ![]() | 140.3 KB | Display | ![]() |
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PDB format | ![]() | 104.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7juqC ![]() 7jusC ![]() 7jutC ![]() 7juuC ![]() 7juvC ![]() 7juwC ![]() 7juxC ![]() 7juyC ![]() 7juzC ![]() 7jv0C ![]() 7jv1C ![]() 2y4iS C: citing same article ( 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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Unit cell |
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Components
-Protein , 2 types, 2 molecules BC
#1: Protein | Mass: 39748.730 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() References: UniProt: Q6VAB6, ![]() |
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#2: Protein | Mass: 43119.371 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: P29678, ![]() |
-Non-polymers , 4 types, 12 molecules ![](data/chem/img/ANP.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/QOM.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/QOM.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | #4: Chemical | #5: Chemical | ChemComp-QOM / | ![]() #6: Water | ChemComp-HOH / | ![]() |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.73 Å3/Da / Density % sol: 73.98 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 12% PEG-3350, 100 mM MES pH 6.25, 200 mM Magnesium Acetate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX300-HS / Detector: CCD / Date: Aug 19, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.82→50 Å / Num. obs: 31255 / % possible obs: 100 % / Redundancy: 13.7 % / CC1/2: 0.999 / Net I/σ(I): 15.87 |
Reflection shell | Resolution: 2.82→2.89 Å / Mean I/σ(I) obs: 2.53 / Num. unique obs: 2270 / CC1/2: 0.52 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 2Y4I Resolution: 2.82→46.895 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / Phase error: 28.05 / 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: 2.82→46.895 Å
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Refine LS restraints |
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LS refinement shell |
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