BMRB Entry 18040
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18040
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Title: DNA TT mismatch and 2,7-BisNP PubMed: 22362757
Deposition date: 2011-11-03 Original release date: 2012-03-02
Authors: JOURDAN, Muriel; GRANZHAN, Anton; GUILLOT, Regis; DUMY, Pascal; TEULADE-FICHOU, Marie-Paule
Citation: Jourdan, Muriel; Granzhan, Anton; Guillot, Regis; Dumy, Pascal; Teulade-Fichou, Marie-Paule. "Double threading through DNA: NMR structural study of a bis-naphthalene macrocycle bound to a thymine-thymine mismatch." Nucleic Acids Res. 40, 5115-5128 (2012).
Assembly members:
DNA_(5'-D(*CP*GP*TP*CP*GP*TP*AP*GP*TP*GP*C)-3')_, polymer, 11 residues, 3365.224 Da.
DNA_(5'-D(*GP*CP*AP*CP*TP*TP*CP*GP*AP*CP*G)-3')_, polymer, 11 residues, 3334.213 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
DNA_(5'-D(*CP*GP*TP*CP*GP*TP*AP*GP*TP*GP*C)-3')_: CGTCGTAGTGC
DNA_(5'-D(*GP*CP*AP*CP*TP*TP*CP*GP*AP*CP*G)-3')_: GCACTTCGACG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 202 |
| 31P chemical shifts | 20 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA_1 | 1 |
| 2 | DNA_2 | 2 |
Entities:
Entity 1, DNA_1 11 residues - 3365.224 Da.
| 1 | DC | DG | DT | DC | DG | DT | DA | DG | DT | DG | ||||
| 2 | DC |
Entity 2, DNA_2 11 residues - 3334.213 Da.
| 1 | DG | DC | DA | DC | DT | DT | DC | DG | DA | DC | ||||
| 2 | DG |
Samples:
sample_1: DNA_1 1.5 mM; DNA_2 1.5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.06 M; pH: 6; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER v10.1, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - structure solution
NMR spectrometers:
- Varian UnityPlus 500 MHz
- Varian Unity 800 MHz