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- PDB-6pge: WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6pge | ||||||
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Title | WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate | ||||||
![]() | WD repeat-containing protein 5 | ||||||
![]() | PROTEIN BINDING/INHIBITOR / Inhibitor / ![]() | ||||||
Function / homology | ![]() MLL3/4 complex / Set1C/COMPASS complex / MLL1/2 complex / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Dennis, M.L. / Peat, T.S. | ||||||
![]() | ![]() Title: Fragment screening for a protein-protein interaction inhibitor to WDR5. Authors: Dennis, M.L. / Morrow, B.J. / Dolezal, O. / Cuzzupe, A.N. / Stupple, A.E. / Newman, J. / Bentley, J. / Hattarki, M. / Nuttall, S.D. / Foitzik, R.C. / Street, I.P. / Stupple, P.A. / Monahan, B.J. / Peat, T.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 82.6 KB | Display | ![]() |
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PDB format | ![]() | 58.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6pg3C ![]() 6pg4SC ![]() 6pg5C ![]() 6pg6C ![]() 6pg7C ![]() 6pg8C ![]() 6pg9C ![]() 6pgaC ![]() 6pgbC ![]() 6pgcC ![]() 6pgdC ![]() 6pgfC 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
#1: Protein | Mass: 33537.016 Da / Num. of mol.: 1 / Fragment: UNP residues 32-334 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() | ||||||
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#2: Chemical | ChemComp-OJM / | ||||||
#3: Chemical | ![]() #4: Chemical | ChemComp-EDO / | ![]() #5: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.18 % |
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Crystal grow![]() | Temperature: 281 K / Method: vapor diffusion, sitting drop Details: 0.024 M ammonium sulfate, 0.1 M Bis-Tris chloride, pH 5.64, 26.3% w/v PEG4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Feb 9, 2017 |
Radiation | Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.76→46.72 Å / Num. obs: 30209 / % possible obs: 99.7 % / Redundancy: 7.1 % / CC1/2: 0.997 / Net I/σ(I): 13.4 |
Reflection shell | Resolution: 1.76→1.79 Å / Redundancy: 7 % / Mean I/σ(I) obs: 2.9 / Num. unique obs: 1647 / CC1/2: 0.875 / % possible all: 97.5 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB entry 6PG4 Resolution: 1.76→35.39 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.927 / Cross valid method: THROUGHOUT / ESU R: 0.127 / ESU R Free: 0.117 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 16.095 Å2
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Refinement step | Cycle: 1 / Resolution: 1.76→35.39 Å
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Refine LS restraints |
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