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 50161

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50161

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for hyen D   PubMed: 32414842

Deposition date: 2020-01-21 Original release date: 2020-05-13

Authors: Du, Qingdan

Citation: Du, Qingdan; Chan, Lai; Gilding, Edward; Henriques, Sonia Troeira; Condon, Nicholas; Ravipati, Anjaneya; Kaas, Quentin; Huang, Yen-Hua; Craik, David. "Discovery and mechanistic studies of cytotoxic cyclotides from the medicinal herb Hybanthus enneaspermus"  J. Biol. Chem. 295, 10911-10925 (2020).

Assembly members:
entity_1_hyen_D, polymer, 30 residues, Formula weight is not available

Natural source:   Common Name: Hybanthus enneaspermus   Taxonomy ID: 212266   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Hybanthus enneaspermus

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):
entity_1_hyen_D: GFPCGESCVYIPCFTAAIGC SCKSKVCYKN

Data sets:
Data typeCount
13C chemical shifts80
15N chemical shifts25
1H chemical shifts191

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1hyen D1

Entities:

Entity 1, hyen D 30 residues - Formula weight is not available

1   GLYPHEPROCYSGLYGLUSERCYSVALTYR
2   ILEPROCYSPHETHRALAALAILEGLYCYS
3   SERCYSLYSSERLYSVALCYSTYRLYSASN

Samples:

sample_1_hyen_D: entity_1 2 mM

sample_conditions_1_hyen_D: ionic strength: 0 M; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1_hyen_Disotropicsample_conditions_1_hyen_D
2D 1H-15N HSQCsample_1_hyen_Disotropicsample_conditions_1_hyen_D
2D 1H-1H NOESYsample_1_hyen_Disotropicsample_conditions_1_hyen_D
2D 1H-13C HSQCsample_1_hyen_Disotropicsample_conditions_1_hyen_D

Software:

CcpNMR, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts