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- PDB-2mav: NMR Structure of N2-IQ-dG at the G3 position in the NarI recognit... -
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Open data
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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 | ||||||
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![]() | DNA / heterocyclic amine / N2-IQ / DNA adducts / NarI / oligodeoxyribonucleotides / quinolines | ||||||
Function / homology | DNA / DNA (> 10)![]() | ||||||
Method | SOLUTION NMR / simulated annealing, molecular dynamics | ||||||
Model details | minimized average structure, model1 | ||||||
Model type details | minimized average | ||||||
![]() | Stavros, K.M. / Hawkins, E.K. / Rizzo, C.J. / Stone, M.P. | ||||||
![]() | ![]() 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. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 163.2 KB | Display | ![]() |
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PDB format | ![]() | 130.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 330.3 KB | Display | ![]() |
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Full document | ![]() | 421.2 KB | Display | |
Data in XML | ![]() | 7 KB | Display | |
Data in CIF | ![]() | 11.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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Links
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Assembly
Deposited unit | ![]()
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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 |
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Sample preparation
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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 |