BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 50647

Title: Chemical shift assignment of cyclorasin 9A12 in water   PubMed: 33427372

Deposition date: 2020-12-15 Original release date: 2021-05-27

Authors: Takeuchi, Koh; Imai, Misaki; Shimada, Ichio

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).

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: WTARRRXRFXQ

Data sets:
Data typeCount
1H chemical shifts83
1M chemical shifts1

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 7 and 10 are non-native amino acid; 4J2 and DNE, respectively. Residues 3, 4, 7, and 10 are D-amino acids.

1   TRPTHRDALDARARGARG4J2ARGPHEDNE
2   GLN

Samples:

sample_1: Cyclorasin 9A12 500 uM; H2O 90%; D2O 10%; sodium phosphate 10 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; 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