BMRB Entry 28066
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28066
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Citation: Kobchikova, Polina; Efimov, Sergey; Klochkov, Vladimir. "Binding of Different Cyclosporin Variants to Micelles Evidenced by NMR and MD Simulations" Membranes (Basel) 13, 196-196 (2023).
PubMed: 36837699
Assembly members:
CsD, polymer, 11 residues, 1216.7 Da.
Natural source: Common Name: Tolypocladium inflatum Taxonomy ID: 29910 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Tolypocladium inflatum
Experimental source: Production method: obtained from a vendor Host organism: Tolypocladium inflatum
Entity Sequences (FASTA):
CsD: XVGLVLAXLLV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 43 |
| 1H chemical shifts | 112 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CsD | 1 |
Entities:
Entity 1, CsD 11 residues - 1216.7 Da.
| 1 | BMT | VAL | SAR | MLE | VAL | MLE | ALA | DAL | MLE | MLE | ||||
| 2 | MVA |
Samples:
sample_1: CsD 2 mM
sample_2: CsD 2 mM
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
NMR spectrometers:
- Bruker Avance 700 MHz