Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 50418

Title: Chemical shift assignment of cyclorasin 9A54 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):

Data sets:
Data typeCount
1H chemical shifts99

Additional metadata:

  • Assembly
  • Samples and Experiments
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  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1Cyclorasin 9A541


Entity 1, Cyclorasin 9A54 11 residues - Formula weight is not available

Residues 2, 7, 9, 10 are non-native amino acid, TBG, 4J2, F2F, DNE, respectively. Residues 3, 7, 10 are D-amino acids.

2   GLN


sample_1: Cyclorasin 9A54 500 uM; DMSO 100%

sample_conditions_1: pressure: 1 atm; temperature: 298 K


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


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

TOPSPIN - collection, processing

NMR spectrometers:

  • Bruker AVANCE III 600 MHz