BMRB Entry 17094
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17094
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Citation: Jenkins, Terence; Lane, Andrew; Neidle, Stephen; Brown, David. "NMR and molecular modeling studies of the interaction of berenil and pentamidine with d(CGCAAATTTGCG)2" Eur. J. Biochem. 213, 1175-1184 (1993).
PubMed: 8504811
Assembly members:
DNA_1, polymer, 12 residues, 281.316 Da.
BRN, non-polymer, 281.316 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_1: CGCAAATTTGCG
- chemical_rates
| Data type | Count |
| kinetic rates | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA 1 | 1 |
| 2 | berenil | 2 |
Entities:
Entity 1, DNA 1 12 residues - 281.316 Da.
| 1 | DC | DG | DC | DA | DA | DA | DT | DT | DT | DG | ||||
| 2 | DC | DG |
Entity 2, berenil - C14 H15 N7 - 281.316 Da.
| 1 | BRN |
Samples:
sample_1: DNA 1 1.0 mM; berenil0 – 1200 uM; potassium chloride 100 mM; sodium phosphate 10 mM; EDTA 0.2 mM
sample_conditions_1: pD: 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 |
Software:
NUCFIT, (Lane, A.N. 1990) - NOE processing
X-PLOR v2.1, Brunger - data analysis
AMPAC, (Quantum Chemistry Program Exchange, QCPE-506) - data analysis
NMR spectrometers:
- Bruker AM 400 MHz
- Varian Unity 600 MHz