BMRB Entry 27779

Title:
1H and 13C assignment of cyclosporine D in CDCl3
Deposition date:
2019-02-11
Original release date:
2019-03-11
Authors:
Efimov, Sergey; Kobchikova, Polina; Klochkov, Vladimir
Citation:

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:

Assembly members:
CsD, polymer, 11 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Tolypocladium inflatum   Taxonomy ID: 29910   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Tolypocladium inflatum

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CsD: XVXXVLAXXXV

Data sets:
Data typeCount
13C chemical shifts63
1H chemical shifts113
coupling constants31

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1CsD1

Entities:

Entity 1, CsD 11 residues - Formula weight is not available

Residues 1 (Bmt), 3 (Gly), 4, 6, 9, 10 (Leu), 11 (Val) are N-methylated. Residue 8 is d-Ala.

1   BMTVALSARMLEVALMLEALADALMLEMLE
2   MVA

Samples:

sample_1: CsD 1.64 mM

sample_conditions_1: pressure: 1 atm; temperature: 298.2 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
1D 1Hsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker Avance 700 MHz