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Yorodumi- PDB-2mav: NMR Structure of N2-IQ-dG at the G3 position in the NarI recognit... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2mav | ||||||
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Title | NMR Structure of N2-IQ-dG at the G3 position in the NarI recognition sequence | ||||||
Components |
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Keywords | DNA / heterocyclic amine / N2-IQ / DNA adducts / NarI / oligodeoxyribonucleotides / quinolines | ||||||
Function / homology | DNA / DNA (> 10) Function and homology information | ||||||
Method | SOLUTION NMR / simulated annealing, molecular dynamics | ||||||
Model details | minimized average structure, model1 | ||||||
Model type details | minimized average | ||||||
Authors | Stavros, K.M. / Hawkins, E.K. / Rizzo, C.J. / Stone, M.P. | ||||||
Citation | Journal: Nucleic Acids Res. / Year: 2014 Title: Base-displaced intercalation of the 2-amino-3-methylimidazo[4,5-f]quinolone N2-dG adduct in the NarI DNA recognition sequence. Authors: Stavros, K.M. / Hawkins, E.K. / Rizzo, C.J. / Stone, M.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2mav.cif.gz | 163.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2mav.ent.gz | 130.3 KB | Display | PDB format |
PDBx/mmJSON format | 2mav.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ma/2mav ftp://data.pdbj.org/pub/pdb/validation_reports/ma/2mav | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: DNA chain | Mass: 3795.551 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#2: DNA chain | Mass: 3728.429 Da / Num. of mol.: 1 / Source method: obtained synthetically |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D 1H-1H NOESY |
-Sample preparation
Details |
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Sample |
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Sample conditions | Ionic strength: 0.1 / pH: 7 / Pressure: ambient / Temperature: 288 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 800 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing, molecular dynamics / Software ordinal: 1 | ||||||||||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: minimized average structure | ||||||||||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: back calculated data agree with experimental NOESY spectrum Conformers calculated total number: 10 / Conformers submitted total number: 10 |