BMRB Entry 50645

Title:
Chemical shift assignment of cyclorasin 9A44d in DMSO
Deposition date:
2020-12-15
Original release date:
2021-05-27
Authors:
Takeuchi, Koh; Imai, Misaki; Shimada, Ichio
Citation:

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).
PubMed: 33427372

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: WXARRRXRXXQ

Data sets:
Data typeCount
1H chemical shifts91
1M chemical shifts3

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cyclorasin 9A121

Entities:

Entity 1, Cyclorasin 9A12 11 residues - Formula weight is not available

Residues 2, 7, 9, and 10 are non-native amino acid, TBG, 4JP, DCB, and DNE, respectively. Residues 3, 7, and 10 are D-amino acids.

1   TRPTBGDALARGARGARG4JPARGDCBDNE
2   GLN

Samples:

sample_1: Cyclorasin 9A44d 500 uM; DMSO 100%

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

NMRFAM-SPARKY - data analysis, peak picking, structure solution

TOPSPIN - collection, processing

NMR spectrometers:

  • Bruker AVANCE III 600 MHz