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- PDB-6zli: CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP -
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Open data
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Basic information
Entry | Database: PDB / ID: 6zli | ||||||
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Title | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | ||||||
![]() | GTPase KRas | ||||||
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Function / homology | ![]() forebrain astrocyte development / negative regulation of epithelial cell differentiation / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Kessler, D. / Fischer, G. / Boettcher, J. | ||||||
![]() | ![]() Title: Drugging all RAS isoforms with one pocket. Authors: Kessler, D. / Bergner, A. / Bottcher, J. / Fischer, G. / Dobel, S. / Hinkel, M. / Mullauer, B. / Weiss-Puxbaum, A. / McConnell, D.B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 154.4 KB | Display | ![]() |
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PDB format | ![]() | 121 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6zioC ![]() 6zirC ![]() 6zizC ![]() 6zj0C ![]() 6zl3C ![]() 6zl5C ![]() 6gj8S 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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 19386.848 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | ChemComp-QME / | #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: 2.16 Å3/Da / Density % sol: 43.01 % |
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Crystal grow![]() | Temperature: 278 K / Method: vapor diffusion / Details: 51.8% MPD 50mM MES PH= 6.4 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SEALED TUBE / Type: RIGAKU MICROMAX-003 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Aug 5, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.73→42.7915 Å / Num. obs: 23941 / % possible obs: 80.7 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.051 / Rsym value: 0.051 / Net I/σ(I): 15.6 |
Reflection shell | Resolution: 1.747→1.862 Å / Mean I/σ(I) obs: 1.8 / Num. unique obs: 1197 / CC1/2: 0.62 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 6GJ8 Resolution: 1.73→42.8 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.917 / SU R Cruickshank DPI: 0.175 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.184 / SU Rfree Blow DPI: 0.154 / SU Rfree Cruickshank DPI: 0.152
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Displacement parameters | Biso mean: 17.67 Å2
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Refine analyze | Luzzati coordinate error obs: 0.23 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.73→42.8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.73→1.81 Å /
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Refinement TLS params. | Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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