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Open data
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Basic information
Entry | Database: PDB / ID: 2hvh | |||||||||
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Title | ddCTP:O6MeG pair in the polymerase active site (0 position) | |||||||||
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![]() | Transferase/DNA / DNA polymerase I / DNA replication / Klenow fragment / Protein-DNA complex / O6-methyl-guanine / Transferase-DNA COMPLEX | |||||||||
Function / homology | ![]() double-strand break repair via alternative nonhomologous end joining / 3'-5' exonuclease activity / DNA-templated DNA replication / DNA-directed DNA polymerase / DNA-directed DNA polymerase activity / nucleotide binding / DNA binding / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Warren, J.J. / Forsberg, L.J. / Beese, L.S. | |||||||||
![]() | ![]() Title: The structural basis for the mutagenicity of O6-methyl-guanine lesions. Authors: Warren, J.J. / Forsberg, L.J. / Beese, L.S. | |||||||||
History |
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Remark 999 | SEQUENCE THE DNA POLYMERASE GENE WAS CLONED FROM AN ORGANISM THAT WAS CLASSIFIED AS A THERMOSTABLE ...SEQUENCE THE DNA POLYMERASE GENE WAS CLONED FROM AN ORGANISM THAT WAS CLASSIFIED AS A THERMOSTABLE STRAIN OF BACILLUS STEAROTHERMOPHILUS BY RIBOSOMAL RNA SEQUENCING. HOWEVER, THIS PARTICULAR GENE HAS MUCH GREATER HOMOLOGY WITH THE ANALOGOUS GENE FROM GEOBACILLUS KAUSTOPHILUS, UNP ACCESSION, Q5KWC1_GEOKA. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 274.8 KB | Display | ![]() |
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PDB format | ![]() | 215.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.1 MB | Display | ![]() |
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Full document | ![]() | 2.1 MB | Display | |
Data in XML | ![]() | 46.3 KB | Display | |
Data in CIF | ![]() | 65.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2hhqC ![]() 2hhsC ![]() 2hhtC ![]() 2hhuC ![]() 2hhvC ![]() 2hhwSC ![]() 2hhxC ![]() 2hviC ![]() 2hw3C ![]() 2hhy 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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Unit cell |
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Details | The asymmetric unit contains two complete biological assemblies, each of which consists of a DNA polymerase, two DNA strands, and an incoming ddCTP + Mn. |
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Components
-DNA chain , 2 types, 4 molecules BECF
#1: DNA chain | Mass: 2675.775 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: DNA primer strand #2: DNA chain | Mass: 4030.650 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: DNA template strand |
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-Protein / Sugars , 2 types, 5 molecules AD
#3: Protein | Mass: 66202.945 Da / Num. of mol.: 2 Fragment: residues 299-876 (analogous to E. coli Klenow fragment) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: polA / Plasmid: PUC / Species (production host): Escherichia coli / Production host: ![]() ![]() References: UniProt: Q5KWC1, UniProt: Q45458*PLUS, DNA-directed DNA polymerase #4: Polysaccharide | |
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-Non-polymers , 4 types, 287 molecules ![](data/chem/img/MN.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/DCT.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/DCT.gif)
![](data/chem/img/HOH.gif)
#5: Chemical | #6: Chemical | ChemComp-SO4 / #7: Chemical | #8: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.66 Å3/Da / Density % sol: 53.78 % | ||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 5.8 Details: 55% saturated ammonium sulfate, 100 mM MES, 2.5% MPD, 10mM MnSO4, 10mM MgSO4, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K | ||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 7, 2006 / Details: mirrors |
Radiation | Monochromator: Si 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.492→47.298 Å / Num. all: 54569 / Num. obs: 54569 / % possible obs: 98.8 % / Observed criterion σ(I): -3 / Redundancy: 5.6 % / Rmerge(I) obs: 0.135 / Rsym value: 0.135 / Net I/σ(I): 11.4 |
Reflection shell | Resolution: 2.492→2.63 Å / Redundancy: 4.9 % / Rmerge(I) obs: 0.414 / Mean I/σ(I) obs: 3.2 / Num. measured all: 36059 / Num. unique all: 7420 / Rsym value: 0.414 / % possible all: 93.3 |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: pdb entry 2HHW Resolution: 2.492→47.298 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.883 / SU B: 10.804 / SU ML: 0.236 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.537 / ESU R Free: 0.301 / 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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 31.483 Å2
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Refinement step | Cycle: LAST / Resolution: 2.492→47.298 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.492→2.557 Å / Total num. of bins used: 20
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