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- PDB-2k68: NMR solution structure of modified DNA containing imidazole nucle... -
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Basic information
Entry | Database: PDB / ID: 2k68 | ||||||||||||||||||
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Title | NMR solution structure of modified DNA containing imidazole nucleosides at neutral pH | ||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / DNA 17-mer / hairpin / artificial nucleobase / imidazole nucleoside / shifted pKa | Function / homology | DNA / DNA (> 10) | ![]() Method | SOLUTION NMR / torsion angle dynamics, simulated annealing | ![]() Johannsen, S. / Boehme, D. / Duepre, N. / Mueller, J. / Sigel, R.K.O. | ![]() ![]() Title: Solution structure at different pHs of a DNA hairpin containing artificial nucleotides Authors: Johannsen, S. / Boehme, D. / Duepre, N. / Mueller, J. / Sigel, R.K.O. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 206 KB | Display | ![]() |
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PDB format | ![]() | 169.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 312.8 KB | Display | ![]() |
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Full document | ![]() | 407.8 KB | Display | |
Data in XML | ![]() | 10.9 KB | Display | |
Data in CIF | ![]() | 16.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 5015.311 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: DID_DNA_17-mer |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
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NMR experiment |
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Sample preparation
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Sample |
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Sample conditions |
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-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: AVANCE / Field strength: 700 MHz |
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Processing
NMR software |
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Refinement | Method: torsion angle dynamics, simulated annealing / Software ordinal: 1 | ||||||||||||||||||||||||||||
NMR constraints | NA alpha-angle constraints total count: 28 / NOE constraints total: 354 / NOE intraresidue total count: 147 / NOE long range total count: 20 / NOE medium range total count: 12 / NOE sequential total count: 185 | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 20 |