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- PDB-4wx9: Crystal structure of Mycobacterium tuberculosis OGT in complex wi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4wx9 | ||||||
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Title | Crystal structure of Mycobacterium tuberculosis OGT in complex with DNA | ||||||
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![]() | TRANSFERASE / direct DNA damage reversal / alkylated DNA-protein alkyltransferase / protein-DNA complex | ||||||
Function / homology | ![]() methylated-DNA-[protein]-cysteine S-methyltransferase / methylated-DNA-[protein]-cysteine S-methyltransferase activity / response to nitrosative stress / DNA alkylation repair / methylation / plasma membrane / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Miggiano, R. / Rossi, F. / Garavaglia, S. / Rizzi, M. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA. Authors: Miggiano, R. / Perugino, G. / Ciaramella, M. / Serpe, M. / Rejman, D. / Pav, O. / Pohl, R. / Garavaglia, S. / Lahiri, S. / Rizzi, M. / Rossi, F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 120.2 KB | Display | ![]() |
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PDB format | ![]() | 91.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 473.9 KB | Display | ![]() |
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Full document | ![]() | 482.8 KB | Display | |
Data in XML | ![]() | 21.1 KB | Display | |
Data in CIF | ![]() | 28.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4wxcC ![]() 4wxdC ![]() 1t39S ![]() 4bhbS 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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2 | ![]()
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3 | ![]()
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Unit cell |
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Components
#1: DNA chain | Mass: 4020.648 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||
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#2: DNA chain | Mass: 3951.586 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||
#3: Protein | Mass: 17864.156 Da / Num. of mol.: 3 / Mutation: I2V Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P9WJW5, methylated-DNA-[protein]-cysteine S-methyltransferase #4: Chemical | ChemComp-GOL / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 0.2M Ammonium acetate, 22% PEG 3350, 0.1M Hepes |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Dec 11, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.972 Å / Relative weight: 1 |
Reflection | Resolution: 3→82.3 Å / Num. obs: 12278 / % possible obs: 99.7 % / Redundancy: 4.8 % / Rmerge(I) obs: 0.15 / Net I/σ(I): 8.78 |
Reflection shell | Resolution: 3→3.16 Å / Redundancy: 5 % / Rmerge(I) obs: 0.889 / Mean I/σ(I) obs: 1.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4BHB, 1T39 Resolution: 3→82.3 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.909 / SU B: 26.378 / SU ML: 0.448 / Cross valid method: THROUGHOUT / ESU R Free: 0.477 / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 60.49 Å2
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Refinement step | Cycle: LAST / Resolution: 3→82.3 Å
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Refine LS restraints |
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