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- PDB-2n4m: Base-displaced intercalated structure of the N-(2'deoxyguanosin-8... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2n4m | ||||||
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Title | Base-displaced intercalated structure of the N-(2'deoxyguanosin-8-yl)-3-aminobenzanthrone DNA adduct | ||||||
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![]() | DNA | ||||||
Function / homology | DNA / DNA (> 10)![]() | ||||||
Method | SOLUTION NMR / molecular dynamics | ||||||
Model details | fewest violations, model1 | ||||||
![]() | Politica, D.A. / Stone, M.P. / Malik, C.K. / Basu, A.K. | ||||||
![]() | ![]() Title: Base-Displaced Intercalated Structure of the N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone DNA Adduct. Authors: Politica, D.A. / Malik, C.K. / Basu, A.K. / Stone, M.P. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 165.6 KB | Display | ![]() |
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PDB format | ![]() | 132 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 334.2 KB | Display | ![]() |
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Full document | ![]() | 425 KB | Display | |
Data in XML | ![]() | 8.1 KB | Display | |
Data in CIF | ![]() | 12.9 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: 3958.670 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#2: DNA chain | Mass: 3609.398 Da / Num. of mol.: 1 / Source method: obtained synthetically |
-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: 900 MHz |
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Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 | ||||||||||||||||||||||||
NMR constraints | NA alpha-angle constraints total count: 18 / NA beta-angle constraints total count: 18 / NA delta-angle constraints total count: 18 / NA epsilon-angle constraints total count: 18 / NA gamma-angle constraints total count: 18 / NA sugar pucker constraints total count: 75 / NOE constraints total: 330 / NOE intraresidue total count: 171 / NOE sequential total count: 125 | ||||||||||||||||||||||||
NMR representative | Selection criteria: fewest violations | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 85 / Conformers submitted total number: 10 / Maximum lower distance constraint violation: 0.083 Å / Maximum torsion angle constraint violation: 8.553 ° / Maximum upper distance constraint violation: 0.104 Å | ||||||||||||||||||||||||
NMR ensemble rms | Distance rms dev: 0.0125 Å |