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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/BMR18430
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Zaliznyak, Tatiana; Lukin, Mark; de los Santos, Carlos. "Structure and stability of duplex DNA containing (5'S)-5',8-cyclo-2'-deoxyadenosine: an oxidatively generated lesion repaired by NER." Chem. Res. Toxicol. 25, 2103-2111 (2012).
PubMed: 22928555
Assembly members:
11_mer_oligonucleotide_B, polymer, 11 residues, Formula weight is not available
11_mer_oligonucleotide_D, polymer, 11 residues, Formula weight is not available
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):
11_mer_oligonucleotide_B: CGTACXCATGC
11_mer_oligonucleotide_D: GCATGTGTACG
Data type | Count |
1H chemical shifts | 151 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | 11_mer_oligonucleotide_B | 1 |
2 | 11_mer_oligonucleotide_D | 2 |
Entity 1, 11_mer_oligonucleotide_B 11 residues - Formula weight is not available
X represents (5 S) 5 ,8-Cyclo-2 -Deoxyadenosine
1 | DC | DG | DT | DA | DC | 02I | DC | DA | DT | DG | ||||
2 | DC |
Entity 2, 11_mer_oligonucleotide_D 11 residues - Formula weight is not available
1 | DG | DC | DA | DT | DG | DT | DG | DT | DA | DC | ||||
2 | DG |
sample_1: 11 mer DNA duplex 0.7 mM; 11 mer DNA duplex 0.7 mM; D2O 100%
sample_2: 11 mer DNA duplex 0.7 mM; 11 mer DNA duplex 0.7 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.7; pressure: 1 atm; temperature: 298 K
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 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
VNMR, Varian - collection
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
FELIX, Accelrys Software Inc. - processing
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement, structure solution
HYPER, Tejero, Monleon, Celda, Powers and Montelione - data analysis, geometry optimization
InsightII, Accelrys Software Inc. - data analysis