+Open data
-Basic information
Entry | Database: PDB / ID: 1q2t | ||||||||||||||||||
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Title | Solution structure of d(5mCCTCTCC)4 | ||||||||||||||||||
Components | 5'-D(*Keywords | DNA / DNA solution structure / i-motif / protonated cytidine / hemiprotonated base-pairs | Function / homology | DNA | Function and homology information Method | SOLUTION NMR / simulated annealing | Authors | Leroy, J.-L. | Citation | Journal: J.Mol.Biol. / Year: 2003 Title: T.T pair intercalation and duplex inter-conversion within i-motif tetramers Authors: Leroy, J.-L. #1: Journal: J.Mol.Biol. / Year: 1996 Title: Structure and conversion kinetics of a bi-stable DNA i-motif: broken symmetry in the [d(5mCCTCC)]4 tetramer. Authors: Nonin, S. / Leroy, J.-L. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1q2t.cif.gz | 24.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1q2t.ent.gz | 17.9 KB | Display | PDB format |
PDBx/mmJSON format | 1q2t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q2/1q2t ftp://data.pdbj.org/pub/pdb/validation_reports/q2/1q2t | HTTPS FTP |
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-Related structure data
Related structure data | |
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Similar 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: 1943.384 Da / Num. of mol.: 4 / 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
Details | Contents: 10mM DNA strand / Solvent system: H2O 90%, D2O 10% |
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Sample conditions | Ionic strength: No added counter-ions / pH: 4.4 / Pressure: ambient / Temperature: 273 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: the structure is based on a total of 172 restraints. 30 base-pairing restraints from hydrogen bonds, 78 NOE-distance restraints and 36 repulsive restraints reflecting the absence of NOE | ||||||||||||
NMR ensemble | Conformer selection criteria: back calculated data agree with experimental NOESY spectrum Conformers calculated total number: 10 / Conformers submitted total number: 1 |