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 5245

Title: Heteroduplex of chirally pure R-methylphosphonate/DNA duplex   PubMed: 11790104

Authors: Thiviyanathan, Varatharasa; Vyazovkina, K.; Gozansky, E.; Bichenkova, E.; Abramova, T.; Luxon, B.; Lebedev, A.; Gorenstein, David

Citation: Thiviyanathan, Varatharasa; Vyazovkina, Katya; Gozansky, E.; Bichenkova, E.; Abramova, T.; Luxon, Bruce; Lebedev, A.; Gorenstein, David. "Structure of hybrid backbone methylphosphonate DNA heteroduplexes: effect of R and S stereochemistry."  Biochemistry 41, 827-838 (2002).

Assembly members:
methylphosphonate, polymer, 8 residues, Formula weight is not available
methylphosphonate, polymer, 7 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: chemical synthesis

Entity Sequences (FASTA):
methylphosphonate: TGTTTGGC
methylphosphonate: CXXXXXX

Data sets:
Data typeCount
1H chemical shifts109
31P chemical shifts13

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1R-methylphosphonate/DNA 11
2R-methylphosphonate/DNA 22

Entities:

Entity 1, R-methylphosphonate/DNA 1 8 residues - Formula weight is not available

1   DTDGDTDTDTDGDGDC

Entity 2, R-methylphosphonate/DNA 2 7 residues - Formula weight is not available

1   DCCMRRMPRMPRMPCMRRMP

Samples:

sample_1: methylphosphonate 1.8 mM; methylphosphonate 1.8 mM; NaCl 100 mM; phosphate 10 mM; EDTA 0.1 mM; H2O 90%; D2O 10%

sample_2: methylphosphonate 1.8 mM; methylphosphonate 1.8 mM; NaCl 100 mM; phosphate 10 mM; EDTA 0.1 mM; D2O 100%

sample_cond_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablesample_cond_1
DQF-COSYnot availablenot availablesample_cond_1
2D TOCSYnot availablenot availablesample_cond_1

Software:

VNMR v5.1 - data analysis

AMBER v5.0 - refinement

MORASS v2.0 - iterative matrix relaxation

NMR spectrometers:

  • Varian UNITYplus 400 MHz
  • Varian UNITYplus 750 MHz

Related Database Links: