+Open data
-Basic information
Entry | Database: PDB / ID: 7kwr | ||||||||||||||||||||||||||||
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Title | 1,N6-ethenoadnine (E) in dsDNA sequence (5'-CGCGEATTCGCG-3') | ||||||||||||||||||||||||||||
Components | DNA (5'-D(*Keywords | DNA / DNA repair | Function / homology | DNA / DNA (> 10) | Function and homology information Biological species | synthetic construct (others) | Method | SOLUTION NMR / simulated annealing | Authors | Meints, G.A. / Ljunggren, K.D. | Funding support | United States, 1items |
Citation | Journal: To Be Published | Title: Single Base Lesions and Mismatches Alter the Backbone Dynamics and Conformational Properties in DNA Authors: Meints, G.A. / Ljunggren, K.D. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7kwr.cif.gz | 327.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7kwr.ent.gz | 266.5 KB | Display | PDB format |
PDBx/mmJSON format | 7kwr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7kwr_validation.pdf.gz | 335.9 KB | Display | wwPDB validaton report |
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Full document | 7kwr_full_validation.pdf.gz | 529 KB | Display | |
Data in XML | 7kwr_validation.xml.gz | 19 KB | Display | |
Data in CIF | 7kwr_validation.cif.gz | 28.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kw/7kwr ftp://data.pdbj.org/pub/pdb/validation_reports/kw/7kwr | HTTPS FTP |
-Related structure data
Related structure data | 7kwlC C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: DNA chain | Mass: 3607.433 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Sample state: isotropic / Type: 2D 1H-1H NOESY |
-Sample preparation
Details | Type: solution / Contents: 1.0 mM DNA, 100% D2O / Details: 1 mM DNA, 25 mM phosphate, pH = 7.4 / Label: eA5 / Solvent system: 100% D2O |
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Sample | Conc.: 1.0 mM / Component: DNA / Isotopic labeling: natural abundance |
Sample conditions | Details: 1 mM DNA, 25 mM phosphate, pH = 7.4 / Ionic strength: 25 mM / Ionic strength err: 0.5 / Label: Std conditions / pH: 7.4 pD / Pressure: 1 atm / Temperature: 283 K / Temperature err: 0.2 |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 40 / Conformers submitted total number: 21 |