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 34162

Title: Structure of minimal i-motif domain   PubMed: 28933543

Authors: Mir, B.; Serrano, I.; Buitrago, D.; Orozco, M.; Escaja, N.; Gonzalez, C.

Citation: Mir, B.; Serrano, I.; Buitrago, D.; Orozco, M.; Escaja, N.; Gonzalez, C.. "Prevalent Sequences in the Human Genome Can Form Mini i-Motif Structures at Physiological pH."  J. Am. Chem. Soc. 139, 13985-13988 (2017).

Assembly members:
entity_1, polymer, 21 residues, 6275.114 Da.

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):
entity_1: XCGTTCCGTTTTTCGTTCCG T

Data sets:
Data typeCount
1H chemical shifts116

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 21 residues - 6275.114 Da.

1   THMDNRDGDTDTDCDNRDGDTDT
2   DTDTDTDCDGDTDTDCDCDG
3   DT

Samples:

sample_1: LL3 0.5 mM; NaPi 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1not availablesample_conditions_1
2D 1H-1H TOCSYsample_1not availablesample_conditions_1
2D DQF-COSYsample_1not availablesample_conditions_1

Software:

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

SPARKY, Goddard - chemical shift assignment

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz

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