+Open data
-Basic information
Entry | Database: PDB / ID: 1ssj | ||||||
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Title | A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER) | ||||||
Components |
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Keywords | DNA / DOUBLE HELIX / MODIFIED DNA / CHOLESTEROL ADDUCT / DNA LESION | ||||||
Function / homology | DNA Function and homology information | ||||||
Method | SOLUTION NMR / relaxation matrix restrained molecular dynamics | ||||||
Authors | Gomez-Pinto, I. / Cubero, E. / Kalko, S.G. / Monaco, V. / van der Marel, G. / van Boom, J.H. / Orozco, M. / Gonzalez, C. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: Effect of bulky lesions on DNA: Solution structure of a DNA duplex containing a cholesterol adduct. Authors: Gomez-Pinto, I. / Cubero, E. / Kalko, S.G. / Monaco, V. / Van Der Marel, G. / Van Boom, J.H. / Orozco, M. / Gonzalez, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ssj.cif.gz | 147.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ssj.ent.gz | 117.2 KB | Display | PDB format |
PDBx/mmJSON format | 1ssj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ss/1ssj ftp://data.pdbj.org/pub/pdb/validation_reports/ss/1ssj | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: DNA chain | Mass: 3375.639 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#2: DNA chain | Mass: 3092.013 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
Details | Contents: 2mM duplex, 100mM NaCl, 90% H2O, 10% D2O or 100% D2O Solvent system: 90% H2O, 10% D2O or 100% D2O |
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Sample conditions | Ionic strength: 100 mM NaCl / pH: 7 / Pressure: 1 atm / Temperature: 278 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 600 MHz |
-Processing
NMR software |
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Refinement | Method: relaxation matrix restrained molecular dynamics / Software ordinal: 1 Details: THE STRUCTURES ARE BASED ON A TOTAL OF 380 NOE-DERIVED DISTANCE CONSTRAINTS OBTAINED FROM A COMPLETE RELAXATION MATRIX REFINEMENT. THE STRUCTURES WERE CALCULATED BY USING RESTRAINED ...Details: THE STRUCTURES ARE BASED ON A TOTAL OF 380 NOE-DERIVED DISTANCE CONSTRAINTS OBTAINED FROM A COMPLETE RELAXATION MATRIX REFINEMENT. THE STRUCTURES WERE CALCULATED BY USING RESTRAINED MOLECULAR DYNAMICS WITH EXPLICIT SOLVENT, AND APPLYING THE PARTICLE MESH EWALD METHOD | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: all calculated structures submitted Conformers calculated total number: 10 / Conformers submitted total number: 10 |