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Yorodumi- PDB-6ur4: DNA polymerase I Large Fragment from Bacillus stearothermophilus ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6ur4 | ||||||
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Title | DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template and 3'-amino primer | ||||||
Components |
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Keywords | REPLICATION/DNA / amino primer / DNA polymerase / REPLICATION-DNA complex | ||||||
Function / homology | Function and homology information 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 | Geobacillus stearothermophilus (bacteria) synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.25 Å | ||||||
Authors | Zhang, W. / Lelyveld, V.S. / Szostak, J.W. | ||||||
Funding support | United States, 1items
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Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2020 Title: Synthesis of phosphoramidate-linked DNA by a modified DNA polymerase. Authors: Lelyveld, V.S. / Zhang, W. / Szostak, J.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ur4.cif.gz | 147.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ur4.ent.gz | 108.8 KB | Display | PDB format |
PDBx/mmJSON format | 6ur4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6ur4_validation.pdf.gz | 438.4 KB | Display | wwPDB validaton report |
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Full document | 6ur4_full_validation.pdf.gz | 443.5 KB | Display | |
Data in XML | 6ur4_validation.xml.gz | 24 KB | Display | |
Data in CIF | 6ur4_validation.cif.gz | 34.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ur/6ur4 ftp://data.pdbj.org/pub/pdb/validation_reports/ur/6ur4 | HTTPS FTP |
-Related structure data
Related structure data | 6ur2C 6ur9C 6us5C 4dsiS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 66101.766 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Geobacillus stearothermophilus (bacteria) Gene: DPO1, polA / Production host: Escherichia coli (E. coli) / References: UniProt: D9N168, DNA-directed DNA polymerase |
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#2: DNA chain | Mass: 2739.827 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
#3: DNA chain | Mass: 3334.186 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
#4: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.96 Å3/Da / Density % sol: 62.9 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 1 M Malonic acid, 0.15 M Ammonium citrate tribasic, 0.07 M Succinic acid, 0.18 M DL-Malic acid, 0.24 M Sodium acetate trihydrate, 0.3 M Sodium formate, 0.1 M Ammonium tartrate dibasic, pH 7.0 |
-Data collection
Diffraction | Mean temperature: 99 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 1 Å |
Detector | Type: MAR CCD 130 mm / Detector: CCD / Date: Dec 14, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→50 Å / Num. obs: 40025 / % possible obs: 94.4 % / Redundancy: 7 % / CC1/2: 0.978 / Rmerge(I) obs: 0.141 / Rpim(I) all: 0.057 / Rrim(I) all: 0.153 / Χ2: 1.422 / Net I/σ(I): 15.1 |
Reflection shell | Resolution: 2.25→2.33 Å / Redundancy: 6 % / Rmerge(I) obs: 0.574 / Mean I/σ(I) obs: 6.8 / Num. unique obs: 3455 / CC1/2: 0.802 / Rpim(I) all: 0.245 / Rrim(I) all: 0.628 / Χ2: 2.09 / % possible all: 83.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4DSI Resolution: 2.25→28.4 Å / SU ML: 0.32 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 25.04 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.25→28.4 Å
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Refine LS restraints |
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LS refinement shell |
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