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- PDB-7o2f: Crystal structure of the human METTL3-METTL14 complex bound to Co... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7o2f | ||||||
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Title | Crystal structure of the human METTL3-METTL14 complex bound to Compound 22 (UZH2) | ||||||
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Function / homology | ![]() negative regulation of hematopoietic progenitor cell differentiation / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bedi, R.K. / Dolbois, A. / Caflisch, A. | ||||||
Funding support | ![]()
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![]() | ![]() Title: 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. Authors: Dolbois, A. / Bedi, R.K. / Bochenkova, E. / Muller, A. / Moroz-Omori, E.V. / Huang, D. / Caflisch, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 134.4 KB | Display | ![]() |
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PDB format | ![]() | 80.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7o08C ![]() 7o09C ![]() 7o0lC ![]() 7o29C ![]() 7o2eC ![]() 7acdS 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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1 |
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Unit cell |
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Components
#1: Protein | Mass: 28144.080 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() |
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#2: Protein | Mass: 33621.246 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() |
#3: Chemical | ChemComp-UZ5 / |
#4: Chemical | ChemComp-ACT / ![]() |
#5: Water | ChemComp-HOH / ![]() |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.52 % |
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Crystal grow![]() | Temperature: 295 K / Method: vapor diffusion, hanging drop / Details: 20% PEG 3350, 400mM Mg acetate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Feb 24, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.1→44.74 Å / Num. obs: 32606 / % possible obs: 99.3 % / Redundancy: 6.56 % / Biso Wilson estimate: 37.04 Å2 / CC1/2: 0.998 / Net I/σ(I): 12.77 |
Reflection shell | Resolution: 2.1→2.22 Å / Num. unique obs: 5099 / CC1/2: 0.614 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 7ACD Resolution: 2.1→44.74 Å / SU ML: 0.2601 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 24.9203 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: 40.33 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→44.74 Å
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Refine LS restraints |
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LS refinement shell |
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