BMRB Entry 18427

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18427
MolProbity Validation Chart

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Title:
Solution structure of 2'F-ANA and ANA self-complementary duplex
Deposition date:
2012-04-26
Original release date:
2012-07-16
Authors:
Martin-Pintado, Nerea; Yahyaee, Maryam; Campos, Ramon; Noronha, Anne; Wilds, Cristopher; Damha, Masad; Gonzalez, Carlos
Citation:

Citation: Martin-Pintado, Nerea; Yahyaee-Anzahaee, Maryam; Campos-Olivas, Ramon; Noronha, Anne; Wilds, Christopher; Damha, Masad; Gonzalez, Carlos. "The solution structure of double helical arabino nucleic acids (ANA and 2'F-ANA): effect of arabinoses in duplex-hairpin interconversion."  Nucleic Acids Res. 40, 9329-9339 (2012).
PubMed: 22798499

Assembly members:

Assembly members:
DNA/RNA_(5'-D(*(CFL)P*(GFL)P*(CFL)P*(GFL))-R(P*(A5O)P*(A5O)P*(UAR)P*(UAR))-D(P*(CFL)P*(GFL)P*(CFL)P*(GFL))-3')_, polymer, 12 residues, 3843.290 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA/RNA_(5'-D(*(CFL)P*(GFL)P*(CFL)P*(GFL))-R(P*(A5O)P*(A5O)P*(UAR)P*(UAR))-D(P*(CFL)P*(GFL)P*(CFL)P*(GFL))-3')_: XXXXXXXXXXXX

Data sets:
Data typeCount
19F chemical shifts7
1H chemical shifts72

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1DNA/RNA_chain_A1
2DNA/RNA_chain_B1

Entities:

Entity 1, DNA/RNA_chain_A 12 residues - 3843.290 Da.

1   CFLGFLCFLGFLA5OA5OUARUARCFLGFL
2   CFLGFL

Samples:

sample_1: potassium phosphate 25 mM; DNA/RNA chain 0.8 mM; sodium chloride 100 mM; D2O 10%; H2O 90%

sample_2: potassium phosphate 25 mM; sodium chloride 100 mM; DNA/RNA chain 0.8 mM; D2O 100%

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-19F HOESYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-19F HOESYsample_2isotropicsample_conditions_1

Software:

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

Molmol, Koradi, Billeter and Wuthrich - data analysis

SPARKY, Goddard - peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz