BMRB Entry 34162
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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/BMR34162
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Title: Structure of minimal i-motif domain PubMed: 28933543
Deposition date: 2017-07-12 Original release date: 2017-11-27
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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 6275.114 Da.
| 1 | THM | DNR | DG | DT | DT | DC | DNR | DG | DT | DT | ||||
| 2 | DT | DT | DT | DC | DG | DT | DT | DC | DC | DG | ||||
| 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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | not available | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | not available | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | not available | sample_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