BMRB Entry 50646
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50646
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Title: Chemical shift assignment of cyclorasin 12A in water PubMed: 33427372
Deposition date: 2020-12-15 Original release date: 2021-05-27
Authors: Takeuchi, Koh; Imai, Misaki; Shimada, Ichio
Citation: Takeuchi, Koh; Misaki, Imai; Tokunaga, Yuji; Fujisaki, Miwa; Kamoshida, Hajime; Takizawa, Takeshi; Hanzawa, Hiroyuki; Shimada, Ichio. "Conformational Plasticity of Cyclic Ras-Inhibitor Peptides Defines Cell Permeabilization Activity" Angew. Chem. Int. Ed. Engl. 60, 6567-6572 (2021).
Assembly members:
entity_1, polymer, . residues, Formula weight is not available
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: WRAQRRXRXR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cyclorasin 12A | 1 |
Entities:
Entity 1, Cyclorasin 12A - Formula weight is not available
Residues 7 and 9 are non-native amino acid, 4J2 and PFF respectively. Residues 3 and 7 are D-amino acids.
| 1 | TRP | ARG | DAL | GLN | ARG | ARG | 4J2 | ARG | PFF | ARG |
Samples:
sample_1: Cyclorasin 12A 500 uM; H2O 90%; D2O 10%; sodium phosphate 10 mM; sodium chloride 100 mM
sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRFAM-SPARKY - data analysis, peak picking, structure solution
TOPSPIN - collection, processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz