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- PDB-1duf: THE NMR STRUCTURE OF DNA DODECAMER DETERMINED IN AQUEOUS DILUTE L... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1duf | ||||||||||||||||||
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Title | THE NMR STRUCTURE OF DNA DODECAMER DETERMINED IN AQUEOUS DILUTE LIQUID CRYSTALLINE PHASE | ||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / B-DNA / DOUBLE HELIX / DIPOLAR COUPLING | Function / homology | DNA / DNA (> 10) | ![]() Method | SOLUTION NMR / SIMULATED ANNEALING, MOLECULAR DYNAMICS | ![]() Tjandra, N. / Tate, S. / Ono, A. / Kainosho, M. / Bax, A. | ![]() Journal: J.Am.Chem.Soc. / Year: 2000 | Title: The NMR Structure of a DNA Dodecamer in an Aqueous Dilute Liquid Crystalline Phase Authors: Tjandra, N. / Tate, S. / Ono, A. / Kainosho, M. / Bax, A. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 87.1 KB | Display | ![]() |
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PDB format | ![]() | 69.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 313.5 KB | Display | ![]() |
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Full document | ![]() | 343 KB | Display | |
Data in XML | ![]() | 3.2 KB | Display | |
Data in CIF | ![]() | 4.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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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: 3663.392 Da / Num. of mol.: 2 / 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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NMR details | Text: THIS STRUCTURE WAS DETERMINED USING A COMPLETE SET OF HOMONUCLEAR AND HETERONUCLEAR DIPOLAR COUPLINGS IN LIQUID CRYSTAL |
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Sample preparation
Details | Contents: 0.5 MM DUPLEX DNA, 40MM SODIUM PHOSPHATE, PH 7.0 |
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Sample conditions | Ionic strength: 40 mM / pH: 7.00 / Pressure: 1 atm / Temperature: 308.00 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: SIMULATED ANNEALING, MOLECULAR DYNAMICS / Software ordinal: 1 Details: THE STRUCTURE IS BASED ON A TOTAL OF 162 NOE, 32 HYDROGEN BOND, AND 156 DIHEDRAL RESTRAINTS; AS WELL AS 198 CH AND 10 NH ONE-BOND DIPOLAR COUPLING RESTRAINTS IN ADDITION TO 200 APPROXIMATE ...Details: THE STRUCTURE IS BASED ON A TOTAL OF 162 NOE, 32 HYDROGEN BOND, AND 156 DIHEDRAL RESTRAINTS; AS WELL AS 198 CH AND 10 NH ONE-BOND DIPOLAR COUPLING RESTRAINTS IN ADDITION TO 200 APPROXIMATE PROTON -PROTON DIPOLAR COUPLINGS | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 20 / Conformers submitted total number: 5 |