BMRB Entry 50416
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50416
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Title: Chemical shift assignment of cyclorasin 9A5 in DMSO PubMed: 33427372
Deposition date: 2020-07-31 Original release date: 2021-05-27
Authors: Takeuchi, Koh; Imai, Misaki; Shimada, Ichio
Citation: Takeuchi, Koh; Imai, Misaki; 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, 11 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: WTXRRRXRXXQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 85 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cyclorasin 9A5 | 1 |
Entities:
Entity 1, Cyclorasin 9A5 11 residues - Formula weight is not available
Residues 7, 9, 10 are non-native amino acids, 4J2, PFF, and DNE, respectively. Residues 3, 7, 10 are D-amino acids."
| 1 | TRP | THR | DAL | ARG | ARG | ARG | 4J2 | ARG | PFF | DNE | ||||
| 2 | GLN |
Samples:
sample_1: Cyclorasin 9A5 500 uM; DMSO 100%
sample_conditions_1: pressure: 1 atm; temperature: 298 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