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Open data
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Basic information
Entry | Database: PDB / ID: 2ms9 | ||||||
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Title | Solution structure of a G-quadruplex | ||||||
![]() | DNA (28-MER) | ||||||
![]() | DNA / G-quadruplex | ||||||
Function / homology | DNA / DNA (> 10)![]() | ||||||
Biological species | synthetic (others) | ||||||
Method | SOLUTION NMR / DGSA-distance geometry simulated annealing, Distance-restrained molecular dynamics | ||||||
Model details | lowest energy, model1 | ||||||
![]() | Chung, W.J. / Heddi, B. / Schmitt, E. / Lim, K.W. / Mechulam, Y. / Phan, A.T. | ||||||
![]() | ![]() Title: Structure of a left-handed DNA G-quadruplex Authors: Chung, W.J. / Heddi, B. / Schmitt, E. / Lim, K.W. / Mechulam, Y. / Phan, A.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 172.6 KB | Display | ![]() |
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PDB format | ![]() | 146.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 388.9 KB | Display | ![]() |
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Full document | ![]() | 469 KB | Display | |
Data in XML | ![]() | 12.9 KB | Display | |
Data in CIF | ![]() | 15.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-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: 8872.649 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic (others) |
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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: 90 / pH: 7 / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: DGSA-distance geometry simulated annealing, Distance-restrained molecular dynamics Software ordinal: 1 | |||||||||||||||||||||||||||
NMR constraints | NOE constraints total: 664 / NOE intraresidue total count: 313 / Hydrogen bond constraints total count: 64 | |||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 / Representative conformer: 1 |