BMRB Entry 4547
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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/BMR4547
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Title: Solution structure of a DNA.RNA hybrid containing an alpha-anomeric thymidine and polarity reversals: d(ATGG-3'-3'-(alpha-T)-5'-5'-GCTC).r(gagcaccau) PubMed: 10569927
Deposition date: 1999-08-20 Original release date: 2000-12-06
Authors: Germann, M.; Aramini, J.
Citation: Germann, M.; Aramini, J.. "Solution structure of a DNA.RNA hybrid containing an alpha-anomeric thymidine and polarity reversals: d(ATGG-3'-3'-(alpha-T)-5'-5'-GCTC).r(gagcaccau)" Biochemistry 38, 15448-15458 (1999).
Assembly members:
5'-D(ATGG-3'-3'-(ALPHA-T)-5'-5'-GCTC)-3', polymer, 9 residues, Formula weight is not available
RNA, polymer, 9 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: .
Entity Sequences (FASTA):
5'-D(ATGG-3'-3'-(ALPHA-T)-5'-5'-GCTC)-3': ATGGXGCTC
RNA: GAGCACCAU
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 166 |
| 31P chemical shifts | 16 |
| coupling constants | 36 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA | 1 |
| 2 | RNA | 2 |
Entities:
Entity 1, DNA 9 residues - Formula weight is not available
| 1 | DA | DT | DG | DG | T3P | DG | DC | DT | DC |
Entity 2, RNA 9 residues - Formula weight is not available
| 1 | G | A | G | C | A | C | C | A | U |
Samples:
sample_1: 5'-D(ATGG-3'-3'-(ALPHA-T)-5'-5'-GCTC)-3' 0.89 mM; RNA 0.89 mM; NaCl 50 mM; NaPhosphate 10 mM; EDTA 0.5 mM; D2O%
sample_2: 5'-D(ATGG-3'-3'-(ALPHA-T)-5'-5'-GCTC)-3' 0.89 mM; RNA 0.89 mM; NaCl 50 mM; NaPhosphate 10 mM; EDTA 0.5 mM; D2O 10%; H2O 90%
sample_cond_1: pH: 6.6; temperature: 298 K
sample_cond_2: pH: 6.7; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| 31P-1H CORRELATION SPECTROSCOPY | not available | not available | not available |
Software:
UXNMR v2.1 - data collection
MARDIGRAS v3.2 - iterative matrix relaxation
CORMA v5.2 - data analysis
SPARKY v3.33 - data analysis
AMBER v4.1 - refinement, structure solution
SPHINX-LINSHA vN/A - data analysis
CURVES v5.1 - data analysis
NMR spectrometers:
- Bruker AMX 600 MHz