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- PDB-3o1t: Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair D... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3o1t | ||||||
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Title | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | ||||||
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![]() | OXIDOREDUCTASE / Demethyalse | ||||||
Function / homology | ![]() response to methyl methanesulfonate / DNA oxidative demethylase / : / oxidative RNA demethylation / : / oxidative RNA demethylase activity / broad specificity oxidative DNA demethylase activity / RNA repair / oxidative demethylation / DNA alkylation repair ...response to methyl methanesulfonate / DNA oxidative demethylase / : / oxidative RNA demethylation / : / oxidative RNA demethylase activity / broad specificity oxidative DNA demethylase activity / RNA repair / oxidative demethylation / DNA alkylation repair / dioxygenase activity / ferrous iron binding / DNA repair / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Yi, C. / Jia, G. / Hou, G. / Dai, Q. / Zhang, W. / Zheng, G. / Jian, X. / Yang, C.-G. / Cui, Q. / He, C. | ||||||
![]() | ![]() Title: Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Authors: Yi, C. / Jia, G. / Hou, G. / Dai, Q. / Zhang, W. / Zheng, G. / Jian, X. / Yang, C.G. / Cui, Q. / He, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 134.5 KB | Display | ![]() |
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PDB format | ![]() | 99.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 464.3 KB | Display | ![]() |
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Full document | ![]() | 467.4 KB | Display | |
Data in XML | ![]() | 15.1 KB | Display | |
Data in CIF | ![]() | 22.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3o1mC ![]() 3o1oC ![]() 3o1pC ![]() 3o1rC ![]() 3o1sC ![]() 3o1uC ![]() 3o1vC ![]() 3bieS 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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 22961.303 Da / Num. of mol.: 1 Fragment: N-terminus 11 amino acids truncated AlkB (UNP residues 12 to 216) Mutation: S129C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P05050, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With 2-oxoglutarate as one donor, and incorporation of one atom of oxygen into each donor |
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-DNA chain , 2 types, 2 molecules BC
#2: DNA chain | Mass: 3776.573 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Solid state DNA synthesizer. |
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#3: DNA chain | Mass: 3950.598 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Solid state DNA synthesizer. |
-Non-polymers , 3 types, 341 molecules ![](data/chem/img/FE.gif)
![](data/chem/img/SIN.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SIN.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-FE / |
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#5: Chemical | ChemComp-SIN / |
#6: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50.6 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 20% (w/v) PEG 8K, 100 mM Sodium Chloride, 25 mM magnesium chloride, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction source | Source: ![]() ![]() ![]() |
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Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9266 Å / Relative weight: 1 |
Reflection | Resolution: 1.48→50 Å / Num. all: 38328 / Num. obs: 38290 / % possible obs: 99.9 % / Observed criterion σ(F): 2.3 / Observed criterion σ(I): 2.3 / Redundancy: 3.6 % / Rmerge(I) obs: 0.07 |
Reflection shell | Resolution: 1.48→1.53 Å / Redundancy: 3.6 % / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 3BIE Resolution: 1.48→15 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.93 / SU B: 3.88 / SU ML: 0.069 / Cross valid method: THROUGHOUT / σ(F): 2.3 / σ(I): 2.3 / ESU R Free: 0.103 / 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: 16.592 Å2
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Refinement step | Cycle: LAST / Resolution: 1.48→15 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.62→1.662 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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