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Yorodumi- PDB-3qkj: The PWWP domain of human DNA (CYTOSINE-5-)-METHYLTRANSFERASE 3 BE... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3qkj | ||||||
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Title | The PWWP domain of human DNA (CYTOSINE-5-)-METHYLTRANSFERASE 3 BETA in complex with a bis-tris molecule | ||||||
Components | DNA cytosine-5 methyltransferase 3 beta isoform 6 variant | ||||||
Keywords | TRANSFERASE / DNMT3B / PWWP DOMAIN / METHYLTRANSFERASE 3 BETA / SGC / S-ADENOSYL-L-METHIONINE / ZINC-FINGER / Structural Genomics / Structural Genomics Consortium | ||||||
Function / homology | Function and homology information : / DNA (cytosine-5-)-methyltransferase activity, acting on CpG substrates / DNA-methyltransferase activity / DNA (cytosine-5-)-methyltransferase / DNA (cytosine-5-)-methyltransferase activity / SUMOylation of DNA methylation proteins / : / catalytic complex / DNA methylation / PRC2 methylates histones and DNA ...: / DNA (cytosine-5-)-methyltransferase activity, acting on CpG substrates / DNA-methyltransferase activity / DNA (cytosine-5-)-methyltransferase / DNA (cytosine-5-)-methyltransferase activity / SUMOylation of DNA methylation proteins / : / catalytic complex / DNA methylation / PRC2 methylates histones and DNA / methyltransferase activity / Defective pyroptosis / NoRC negatively regulates rRNA expression / transcription corepressor activity / methylation / positive regulation of gene expression / negative regulation of transcription by RNA polymerase II / DNA binding / nucleoplasm / metal ion binding / nucleus Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.04 Å | ||||||
Authors | Zeng, H. / Amaya, M.F. / Mackenzie, F. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. / Botchkarev, A. / Min, J. / Wu, H. / Structural Genomics Consortium (SGC) | ||||||
Citation | Journal: Plos One / Year: 2011 Title: Structural and Histone Binding Ability Characterizations of Human PWWP Domains. Authors: Wu, H. / Zeng, H. / Lam, R. / Tempel, W. / Amaya, M.F. / Xu, C. / Dombrovski, L. / Qiu, W. / Wang, Y. / Min, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3qkj.cif.gz | 224.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3qkj.ent.gz | 183.8 KB | Display | PDB format |
PDBx/mmJSON format | 3qkj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qk/3qkj ftp://data.pdbj.org/pub/pdb/validation_reports/qk/3qkj | HTTPS FTP |
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-Related structure data
Related structure data | 3eaeC 3l42C 3llrC 3lyiC 3mo8C 3pfsC 3pmiC 3qbyC 3qj6C C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 16755.896 Da / Num. of mol.: 4 / Fragment: UNP residues 293-442 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Plasmid: pET28-MHL / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q59H79, UniProt: Q9UBC3*PLUS #2: Chemical | ChemComp-BTB / #3: Chemical | ChemComp-SO4 / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.84 Å3/Da / Density % sol: 67.93 % |
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Crystal grow | Temperature: 300 K / Method: vapor diffusion, sitting drop / pH: 6 Details: pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X12B / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jun 5, 2009 |
Radiation | Monochromator: si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.04→50 Å / Num. obs: 62267 / % possible obs: 98.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Biso Wilson estimate: 51.72 Å2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.04→34.04 Å / Cor.coef. Fo:Fc: 0.9567 / Cor.coef. Fo:Fc free: 0.9454 / SU B: 4.788 / SU ML: 0.129 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.158 / Stereochemistry target values: MAXIMUM LIKELIHOOD / 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: 1.4 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 59.37 Å2
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Refine analyze | Luzzati coordinate error obs: 0.39 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.04→34.04 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.04→2.09 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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