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- PDB-6ijv: Solution NMR structure of a 14-mer dsDNA complexed with a novel N... -
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Basic information
Entry | Database: PDB / ID: 6ijv | ||||||||||||||||||||
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Title | Solution NMR structure of a 14-mer dsDNA complexed with a novel NIR fluorescent probe QCy-DT | ||||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / dsDNA / ligand / QCy-DT | Function / homology | Chem-QCY / DNA / DNA (> 10) | ![]() Biological species | ![]() Method | SOLUTION NMR / torsion angle dynamics | ![]() Basu, G. / Ganguly, S. | ![]() ![]() Title: DNA Minor Groove-Induced cis - trans Isomerization of a Near-Infrared Fluorescent Probe. Authors: Ganguly, S. / Murugan, N.A. / Ghosh, D. / Narayanaswamy, N. / Govindaraju, T. / Basu, G. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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PDBx/mmCIF format | ![]() | 92.6 KB | Display | ![]() |
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PDB format | ![]() | 63.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 478.6 KB | Display | ![]() |
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Full document | ![]() | 729.9 KB | Display | |
Data in XML | ![]() | 44.5 KB | Display | |
Data in CIF | ![]() | 40.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5zldC ![]() 6ijwC 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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NMR ensembles |
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Components
#1: DNA chain | Mass: 4280.792 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) ![]() #2: Chemical | ChemComp-QCY / | |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details |
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Sample |
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Sample conditions | Ionic strength: 10mM NaCl mM / Label: chemical_1 / pH: 7.0 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 700 MHz |
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Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 4 | ||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 20 / Conformers submitted total number: 4 |