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Open data
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Basic information
Entry | Database: PDB / ID: 2kh4 | ||||||||||||||||||||
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Title | Aflatoxin Formamidopyrimidine alpha anomer in single strand DNA | ||||||||||||||||||||
![]() | 5'-D(*![]() DNA / Aflatoxin / Formamidopyrimidine / alpha anomer | Function / homology | DNA | ![]() Method | SOLUTION NMR / molecular dynamics | Model details | closest to the average, model 1 | ![]() Brown, K.L. | ![]() ![]() Title: Structural perturbations induced by the alpha-anomer of the aflatoxin B(1) formamidopyrimidine adduct in duplex and single-strand DNA Authors: Brown, K.L. / Voehler, M.W. / Magee, S.M. / Harris, C.M. / Harris, T.M. / Stone, M.P. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 30.3 KB | Display | ![]() |
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PDB format | ![]() | 19.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 317.9 KB | Display | ![]() |
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Full document | ![]() | 328.4 KB | Display | |
Data in XML | ![]() | 6.1 KB | Display | |
Data in CIF | ![]() | 7.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 1537.118 Da / Num. of mol.: 1 / 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: 0.1 / pH: 8.7 / Pressure: ambient / Temperature: 278 K |
-NMR measurement
NMR spectrometer | Type: Bruker Advance / Manufacturer: Bruker / Model: Advance / Field strength: 500 MHz |
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Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 | ||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: back calculated data agree with experimental NOESY spectrum Conformers calculated total number: 8 / Conformers submitted total number: 8 |