BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 5716

Title: CHEMICAL SHIFTS OF THE CK14 DNA DUPLEX: A PORTION OF THE KNOWN NF-kB SEQUENCE CK1

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

Data sets:
Data typeCount
1H chemical shifts200

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1CK14A1
2CK14B2

Entities:

Entity 1, CK14A 14 residues - Formula weight is not available

1   DCDCDADGDGDADGDADTDT
2   DCDCDADC

Entity 2, CK14B 14 residues - Formula weight is not available

1   DGDTDGDGDADADTDCDTDC
2   DCDTDGDG

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:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
2D TOCSYnot availablenot availablenot available
2D Exchange Spectroscopynot availablenot availablenot available
2D DQF-COSYnot availablenot availablenot available

Software:

MORASS v2.5 - iterative matrix relaxation

AMBER v5 - molecular dynamics calculations

NMR spectrometers:

  • Varian UNITYplus 600 MHz

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