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- PDB-2luj: Solution structure of a parallel-stranded oligoisoguanine DNA pen... -
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Basic information
Entry | Database: PDB / ID: 2luj | ||||||||||||||||||
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Title | Solution structure of a parallel-stranded oligoisoguanine DNA pentaplex formed by d(T(iG)4T) in the presence of Cs ions | ||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / pentaplex / isoguanine / parallel-stranded | Function / homology | DNA | ![]() Method | SOLUTION NMR / simulated annealing | ![]() Kang, M. / Heuberger, B. / Chaput, J.C. / Switzer, C. / Feigon, J. | ![]() ![]() Title: Solution Structure of a Parallel-Stranded Oligoisoguanine DNA Pentaplex Formed by d(T(iG)4T) in the Presence of Cs(+) Ions. Authors: Kang, M. / Heuberger, B. / Chaput, J.C. / Switzer, C. / Feigon, J. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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PDBx/mmCIF format | ![]() | 299.1 KB | Display | ![]() |
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PDB format | ![]() | 252 KB | Display | ![]() |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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: 1880.251 Da / Num. of mol.: 5 / Source method: obtained synthetically |
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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 | Ionic strength: 50 / pH: 6.3 / Pressure: ambient / Temperature: 300 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||||||||
NMR constraints | NA alpha-angle constraints total count: 30 / NA beta-angle constraints total count: 20 / NA chi-angle constraints total count: 20 / NA delta-angle constraints total count: 30 / NA epsilon-angle constraints total count: 30 / NA gamma-angle constraints total count: 20 / NA other-angle constraints total count: 260 / NA sugar pucker constraints total count: 20 / NOE constraints total: 1110 / NOE intraresidue total count: 670 / NOE long range total count: 170 / NOE sequential total count: 270 | ||||||||||||||||||||||||
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: 16 |