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 18699

Title: DIMERIC PIL-E G-QUADRUPLEX DNA FROM NEISSERIA GONORRHOEAE, N STRUCTURES   PubMed: 23085077

Authors: Kuryavyi, V.; Patel, D.

Citation: Kuryavyi, Vitaly; Cahoon, Laty; Seifert, H. Steven; Patel, Dinshaw. "RecA-binding pilE G4 sequence essential for pilin antigenic variation forms monomeric and 5' end-stacked dimeric parallel G-quadruplexes."  Structure 20, 2090-2102 (2012).

Assembly members:
5'-D(*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*GP*GP, polymer, 16 residues, 5122.327 Da.

Natural source:   Common Name: Neisseria Gonorrhoeae   Taxonomy ID: 485   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Neisseria Gonorrhoeae

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
5'-D(*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*GP*GP: GGGTGGGTTGGGTGGG

Data sets:
Data typeCount
1H chemical shifts134

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1di_PIL-E, chain 11
2di_PIL-E, chain 21

Entities:

Entity 1, di_PIL-E, chain 1 16 residues - 5122.327 Da.

1   DGDGDGDTDGDGDGDTDTDG
2   DGDGDTDGDGDG

Samples:

sample_1: di_PIL-E0.3 – 3.5 mM; sodium chloride 100 mM; sodium phosphate 5 mM; D2O 10%; H2O 90%

sample_2: di_PIL-E0.3 – 3.5 mM; D2O, [U-100% 2H], 100%; sodium chloride 100 mM; sodium phosphate 5 mM

sample_conditions_1: ionic strength: 0.105 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H-1H NOESYsample_1isotropicsample_conditions_1
1H-15N JRHMQCsample_1isotropicsample_conditions_1
1H-15N HMBCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_2isotropicsample_conditions_1
1H-31P COSYsample_2isotropicsample_conditions_1

Software:

X-PLOR v3.851, BRUNGER, SCHWIETERS, KUSZEWSKI, TJ - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 800 MHz

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