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- PDB-4kls: DNA polymerase beta mismatched reactant complex with Mn2+, 10 min -
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Open data
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Basic information
Entry | Database: PDB / ID: 4kls | ||||||
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Title | DNA polymerase beta mismatched reactant complex with Mn2+, 10 min | ||||||
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![]() | TRANSFERASE / LYASE/DNA / DNA polymerase / LYASE-DNA complex | ||||||
Function / homology | ![]() Resolution of AP sites via the single-nucleotide replacement pathway / immunoglobulin heavy chain V-D-J recombination / Resolution of AP sites via the multiple-nucleotide patch replacement pathway / Abasic sugar-phosphate removal via the single-nucleotide replacement pathway / APEX1-Independent Resolution of AP Sites via the Single Nucleotide Replacement Pathway / Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases / homeostasis of number of cells / 5'-deoxyribose-5-phosphate lyase activity / POLB-Dependent Long Patch Base Excision Repair / PCNA-Dependent Long Patch Base Excision Repair ...Resolution of AP sites via the single-nucleotide replacement pathway / immunoglobulin heavy chain V-D-J recombination / Resolution of AP sites via the multiple-nucleotide patch replacement pathway / Abasic sugar-phosphate removal via the single-nucleotide replacement pathway / APEX1-Independent Resolution of AP Sites via the Single Nucleotide Replacement Pathway / Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases / homeostasis of number of cells / 5'-deoxyribose-5-phosphate lyase activity / POLB-Dependent Long Patch Base Excision Repair / PCNA-Dependent Long Patch Base Excision Repair / pyrimidine dimer repair / response to hyperoxia / somatic hypermutation of immunoglobulin genes / lymph node development / salivary gland morphogenesis / spleen development / DNA-(apurinic or apyrimidinic site) endonuclease activity / class I DNA-(apurinic or apyrimidinic site) endonuclease activity / DNA-(apurinic or apyrimidinic site) lyase / base-excision repair, gap-filling / response to gamma radiation / base-excision repair / spindle microtubule / DNA-templated DNA replication / double-strand break repair via nonhomologous end joining / intrinsic apoptotic signaling pathway in response to DNA damage / microtubule binding / neuron apoptotic process / response to ethanol / microtubule / in utero embryonic development / damaged DNA binding / DNA-directed DNA polymerase / DNA-directed DNA polymerase activity / lyase activity / Ub-specific processing proteases / inflammatory response / DNA repair / DNA damage response / enzyme binding / protein-containing complex / nucleoplasm / nucleus / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Freudenthal, B.D. / Beard, W.A. / Shock, D.D. / Wilson, S.H. | ||||||
![]() | ![]() Title: Observing a DNA polymerase choose right from wrong. Authors: Freudenthal, B.D. / Beard, W.A. / Shock, D.D. / Wilson, S.H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 109.9 KB | Display | ![]() |
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PDB format | ![]() | 78.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 843.6 KB | Display | ![]() |
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Full document | ![]() | 857.1 KB | Display | |
Data in XML | ![]() | 19.2 KB | Display | |
Data in CIF | ![]() | 27.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4kldC ![]() 4kleC ![]() 4klfC ![]() 4klgC ![]() 4klhC ![]() 4kliC ![]() 4kljC ![]() 4kllC ![]() 4klmC ![]() 4kloC ![]() 4klqC ![]() 4kltC ![]() 4kluC ![]() 4lvsC ![]() 3c2mS 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: 38241.672 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P06746, DNA-directed DNA polymerase, Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases |
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-DNA chain , 3 types, 3 molecules DPT
#2: DNA chain | Mass: 1536.035 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#3: DNA chain | Mass: 3374.210 Da / Num. of mol.: 1 / Source method: obtained synthetically |
#4: DNA chain | Mass: 4869.157 Da / Num. of mol.: 1 / Source method: obtained synthetically |
-Non-polymers , 5 types, 221 molecules ![](data/chem/img/DTP.gif)
![](data/chem/img/PPV.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/MN.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PPV.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/MN.gif)
![](data/chem/img/HOH.gif)
#5: Chemical | ChemComp-DTP / | ||||
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#6: Chemical | ChemComp-PPV / | ||||
#7: Chemical | #8: Chemical | #9: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.28 Å3/Da / Density % sol: 46.03 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion / pH: 8 Details: 50 mM imidazole, 350 mM sodium chloride, 17% PEG3350, pH 8.0, VAPOR DIFFUSION, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU SATURN 92 / Detector: CCD / Date: Sep 25, 2012 / Details: mirrors |
Diffraction measurement | Details: 0.25 degrees, 60.0 sec, detector distance 50.00 mm |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Av R equivalents: 0.078 / Number: 143705 |
Reflection | Resolution: 1.978→50 Å / Num. all: 30170 / Num. obs: 30106 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 4.8 % / Rmerge(I) obs: 0.078 / Rsym value: 0.078 / Χ2: 1.019 / Net I/σ(I): 14.3 |
Reflection shell | Resolution: 1.978→2.05 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.418 / Mean I/σ(I) obs: 2.45 / Rsym value: 0.418 / % possible all: 99.6 |
Cell measurement | Reflection used: 143705 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 3C2M Resolution: 1.978→24.128 Å / Occupancy max: 1 / Occupancy min: 0.26 / FOM work R set: 0.7686 / SU ML: 0.38 / σ(F): 0 / Phase error: 30.36 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.72 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 59.859 Å2 / ksol: 0.411 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 100.61 Å2 / Biso mean: 39.9706 Å2 / Biso min: 12.04 Å2
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Refinement step | Cycle: LAST / Resolution: 1.978→24.128 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 19
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