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Open data
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Basic information
Entry | Database: PDB / ID: 8fmi | |||||||||
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Title | Crystal structure of human KRAS at 1.12 A | |||||||||
![]() | Isoform 2B of GTPase KRas | |||||||||
![]() | HYDROLASE / cancer | |||||||||
Function / homology | small monomeric GTPase / Ca2+ pathway / GUANOSINE-5'-DIPHOSPHATE / Isoform 2B of GTPase KRas![]() | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Brenner, R. / Landgraf, A. / Gonzalez-Gutierrez, G. / Bum-Erdene, K. / Meroueh, S.O. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling. Authors: Brenner, R.J. / Landgraf, A.D. / Bum-Erdene, K. / Gonzalez-Gutierrez, G. / Meroueh, S.O. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 152.1 KB | Display | ![]() |
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PDB format | ![]() | 98 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 753.4 KB | Display | ![]() |
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Full document | ![]() | 753.3 KB | Display | |
Data in XML | ![]() | 11.2 KB | Display | |
Data in CIF | ![]() | 17 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8fmjC ![]() 8fmkC ![]() 5us4S S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 19312.746 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-MG / |
#3: Chemical | ChemComp-GDP / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.84 Å3/Da / Density % sol: 33.12 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: Ammonium Formate 0.2 M and PEG 3350 20% |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RDI CMOS_8M / Detector: CMOS / Date: May 5, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.07216 Å / Relative weight: 1 |
Reflection | Resolution: 1.12→36.52 Å / Num. obs: 55227 / % possible obs: 99.2 % / Redundancy: 7.1 % / Biso Wilson estimate: 7.84 Å2 / CC1/2: 0.998 / Rpim(I) all: 0.029 / Rrim(I) all: 0.092 / Rsym value: 0.087 / Net I/σ(I): 24.3 |
Reflection shell | Resolution: 1.12→1.14 Å / Mean I/σ(I) obs: 3.1 / Num. unique obs: 2494 / CC1/2: 0.735 / Rpim(I) all: 0.318 / Rrim(I) all: 0.662 / Rsym value: 0.574 / % possible all: 90.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5us4 Resolution: 1.12→36.52 Å / SU ML: 0.089 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 13.5185 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.39 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.12→36.52 Å
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Refine LS restraints |
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LS refinement shell |
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