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- PDB-1n37: NMR Solution Structure of the Anthracycline Respinomycin D Interc... -
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Basic information
Entry | Database: PDB / ID: 1n37 | ||||||||||||||||||
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Title | NMR Solution Structure of the Anthracycline Respinomycin D Intercalation Complex with a Double Stranded DNA Molecule (AGACGTCT)2 | ||||||||||||||||||
![]() | 5'-D(*![]() DNA / drug-DNA recognition / anthracycline antibiotcs / Respinomycin D / molecular dynamics simulations / NMR spectroscopy | Function / homology | RESPINOMYCIN D / DNA | ![]() Method | SOLUTION NMR / molecular dynamics | ![]() Maynard, A.J. / Williams, H.E.L. / Searle, M.S. | ![]() ![]() Title: DNA recognition by the Anthracycline Antibiotic Respinomycin D: NMR Structure of the Intercalation Complex with d(AGACGTCT)2 Authors: Searle, M.S. / Maynard, A.J. / Williams, H.E.L. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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PDBx/mmCIF format | ![]() | 23.2 KB | Display | ![]() |
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-Validation report
Summary document | ![]() | 446.4 KB | Display | ![]() |
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Full document | ![]() | 448.8 KB | Display | |
Data in XML | ![]() | 2.7 KB | Display | |
Data in CIF | ![]() | 3 KB | Display | |
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-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: 2426.617 Da / Num. of mol.: 2 / Source method: obtained synthetically #2: Chemical | ChemComp-RSD / | |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: Respinomycin D, D(AGACGTCT)2, TSP, NaN3, Na-ETDA / Solvent system: D2O |
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Sample conditions | Ionic strength: 100mM NaCl 10mM Na2HPO4 / pH: 7 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 500 MHz |
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Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 Details: Sample was subjected to 500ps of restrained molecular dynamics. Using the AMBER94 Force Field | ||||||||||||
NMR ensemble | Conformers submitted total number: 1 |