BMRB Entry 17789
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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/BMR17789
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Title: structure of the duplex containing (5'S)-8,5'-cyclo-2'-deoxyadenosine PubMed: 22103478
Deposition date: 2011-07-18 Original release date: 2012-06-25
Authors: Huang, Hai; Das, Rajat; Basu, Ashis; Stone, Michael
Citation: Huang, Hai; Das, Rajat; Basu, Ashis; Stone, Michael. "Structure of (5'S)-8,5'-cyclo-2'-deoxyguanosine in DNA" J. Am. Chem. Soc. 133, 20357-20368 (2011).
Assembly members:
DNA_(5'-D(P*TP*GP*CP*TP*GP*TP*TP*TP*G)-3')_, polymer, 12 residues, 2752.830 Da.
DNA_(5'-D(P*CP*AP*AP*AP*CP*AP*TP*GP*CP*A)-3')_, polymer, 12 residues, 3022.044 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(P*TP*GP*CP*TP*GP*TP*TP*TP*G)-3')_: GTGCATGTTTGT
DNA_(5'-D(P*CP*AP*AP*AP*CP*AP*TP*GP*CP*A)-3')_: ACAAACATGCAC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 171 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA_(5'-D(P*TP*GP*CP*TP*GP*TP*TP*TP*G)-3') | 1 |
| 2 | DNA_(5'-D(P*CP*AP*AP*AP*CP*AP*TP*GP*CP*A)-3') | 2 |
Entities:
Entity 1, DNA_(5'-D(P*TP*GP*CP*TP*GP*TP*TP*TP*G)-3') 12 residues - 2752.830 Da.
| 1 | DG | DT | DG | DC | DA | DT | DG | DT | DT | DT | ||||
| 2 | DG | DT |
Entity 2, DNA_(5'-D(P*CP*AP*AP*AP*CP*AP*TP*GP*CP*A)-3') 12 residues - 3022.044 Da.
| 1 | DA | DC | DA | DA | DA | DC | DA | DT | DG | DC | ||||
| 2 | DA | DC |
Samples:
sample_1: DNA (5, -D(*GP*TP*GP*CP*TP*GP*TP*TP*TP*GP*T)-3')', ; 2, DNA (5, ; 1, 3, ; 1, 4, ; 1, 5, ; 1
sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER v10, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement
NMR spectrometers:
- Bruker Avance 800 MHz