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Open data
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Basic information
Entry | Database: PDB / ID: 2mjx | ||||||
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Title | Solution NMR structure of a mismatch DNA | ||||||
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![]() | DNA / mismatch DNA / G-G mismatch | ||||||
Function / homology | DNA / DNA (> 10)![]() | ||||||
Biological species | synthetic (others) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model1 | ||||||
![]() | Ghosh, A. / Kumar, K.R. / Bhunia, A. / Chatterjee, S. | ||||||
![]() | ![]() Title: Double GC:GC mismatch in dsDNA enhances local dynamics retaining the DNA footprint: a high-resolution NMR study Authors: Ghosh, A. / Kar, R.K. / Krishnamoorthy, J. / Chatterjee, S. / Bhunia, 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 | ![]() | 152.9 KB | Display | ![]() |
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PDB format | ![]() | 118.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 396.3 KB | Display | ![]() |
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Full document | ![]() | 638.4 KB | Display | |
Data in XML | ![]() | 42.3 KB | Display | |
Data in CIF | ![]() | 40.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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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: 4281.780 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic (others) |
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#2: DNA chain | Mass: 4281.779 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic (others) |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D 1H-1H NOESY |
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Sample preparation
Details | Contents: 1 mM DNA (28-MER)-1, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1 mM / Component: DNA (28-MER)-1 |
Sample conditions | pH: 7.2 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
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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: 27 / NA beta-angle constraints total count: 27 / NA chi-angle constraints total count: 27 / NA delta-angle constraints total count: 28 / NA epsilon-angle constraints total count: 27 / NA gamma-angle constraints total count: 28 / NA sugar pucker constraints total count: 28 | |||||||||
NMR representative | Selection criteria: lowest energy | |||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 8 / Conformers submitted total number: 8 / Representative conformer: 1 |