BMRB Entry 16292
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16292
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Citation: Waywell, Philip; Gonzalez, Veronica; Gill, Martin; Adams, Harry; Meijer, Anthony J H M; Williamson, Mike; Thomas, James. "Structure of the Complex of [Ru(tpm)(dppz)py](2+) with a B-DNA Oligonucleotide-A Single-Substituent Binding Switch for a Metallo-Intercalator." Chemistry 16, 2407-2417 (2010).
PubMed: 20108276
Assembly members:
d(CGAGCTCG)2, polymer, 8 residues, Formula weight is not available
Ru(tpm)(dppz)py, non-polymer, 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):
d(CGAGCTCG)2: CGAGCTCG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 58 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | d(CGAGCTCG),1 | 1 |
| 2 | d(CGAGCTCG),2 | 1 |
| 3 | Ru(tpm)(dppz)py,1 | 2 |
| 4 | Ru(tpm)(dppz)py,2 | 2 |
Entities:
Entity 1, d(CGAGCTCG),1 8 residues - Formula weight is not available
| 1 | DC | DG | DA | DG | DC | DT | DC | DG |
Entity 2, Ru(tpm)(dppz)py,1 - . - Formula weight is not available
| 1 | RuTDpy |
Samples:
sample_1: d(CGAGCTCG)2 2 mM; Ru(tpm)(dppz)py 4 mM; D2O 100%
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 31P-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
FELIX, Accelrys Software Inc. - chemical shift assignment, processing
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 800 MHz