BMRB Entry 5716
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5716
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Title: CHEMICAL SHIFTS OF THE CK14 DNA DUPLEX: A PORTION OF THE KNOWN NF-kB SEQUENCE CK1
Deposition date: 2003-03-04 Original release date: 2000-01-11
Authors: Volk, D.; Yang, X.; Fennewald, S.; King, D.; Bassett, Suzanne; Venkitachalam, S.; Herzog, N.; Luxon, B.; Gorenstein, D.
Citation: Volk, David; Yang, Xianbin; Fennewald, Susan; King, David; Bassett, Suzanne; Venkitachalam, Sheela; Herzog, Norbert; Luxon, Bruce; Gorenstein, David. "Solution Structure and Design of Dithiophosphate Backbone Aptamers Targeting Transcription Factor NF-kB" Bioorg. Chem. 30, 396-419 (2002).
Assembly members:
CK14A, polymer, 14 residues, Formula weight is not available
CK14B, polymer, 14 residues, Formula weight is not available
Natural source: Common Name: E. Coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
CK14A: CCAGGAGATTCCAC
CK14B: GTGGAATCTCCTGG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 200 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CK14A | 1 |
| 2 | CK14B | 2 |
Entities:
Entity 1, CK14A 14 residues - Formula weight is not available
| 1 | DC | DC | DA | DG | DG | DA | DG | DA | DT | DT | ||||
| 2 | DC | DC | DA | DC |
Entity 2, CK14B 14 residues - Formula weight is not available
| 1 | DG | DT | DG | DG | DA | DA | DT | DC | DT | DC | ||||
| 2 | DC | DT | DG | DG |
Samples:
sample_1: CK14A 2.0 mM; CK14B 2.0 mM; Phosphate 20 mM; NaCl 56 mM; NaN3 50 mM; D2O 99.96%
sample_2: CK14A 2.0 mM; CK14B 2.0 mM
sample_cond_1: ionic strength: 100 mM; pH: 6.7; pressure: 1 atm; temperature: 278 K
sample_cond_2: ionic strength: 100 mM; pH: 6.7; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| 2D Exchange Spectroscopy | not available | not available | not available |
| 2D DQF-COSY | not available | not available | not available |
Software:
MORASS v2.5 - iterative matrix relaxation
AMBER v5 - molecular dynamics calculations
NMR spectrometers:
- Varian UNITYplus 600 MHz