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 17859

Title: Solution Structure of a DNA duplex Containing an Unnatural, Hydrophobic Base Pair   PubMed: 20859962

Authors: Malyshev, Denis; Pfaff, Danielle; Ippoliti, Shannon; Hwang, Gil; Dwyer, Tammy; Romesberg, Floyd

Citation: Malyshev, Denis; Pfaff, Danielle; Ippoliti, Shannon; Hwang, Gil; Dwyer, Tammy; Romesberg, Floyd. "Solution Structure, Mechanism of Replication, and Optimization of an Unnatural Base Pair"  Chem. Eur. J. 16, 12650-12659 (2010).

Assembly members:
DNA1, polymer, . residues, Formula weight is not available
DNA2, polymer, . residues, Formula weight is not available

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
DNA1: CGTTTCXTTCTC
DNA2: GAGAAXGAAACG

Data sets:
Data typeCount
1H chemical shifts155

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1(DC)(DG)(DT)(DT)(DT)(DC)(LHO)(DT)(DT)(DC)(DT)(DC)1
2(DG)(DA)(DG)(DA)(DA)(MM7)(DG)(DA)(DA)(DA)(DC)(DG)2

Entities:

Entity 1, (DC)(DG)(DT)(DT)(DT)(DC)(LHO)(DT)(DT)(DC)(DT)(DC) - Formula weight is not available

SICS is a synthetic non-natural, non-hydrogen bonding nucleoside

1   DCDGDTDTDTDCLHODTDTDC
2   DTDC

Entity 2, (DG)(DA)(DG)(DA)(DA)(MM7)(DG)(DA)(DA)(DA)(DC)(DG) - Formula weight is not available

MMO2 is a synthetic non-natural, non-hydrogen bonding nucleoside

1   DGDADGDADAMM7DGDADADA
2   DCDG

Samples:

sample_1: DNA1 1 mM; DNA2 1 mM; sodium phosphate 10 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

AMBER v11, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - structure solution

NMR spectrometers:

  • Varian INOVA 500 MHz

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