BMRB Entry 50161

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

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for hyen D
Deposition date:
2020-01-21
Original release date:
2020-05-13
Authors:
Du, Qingdan
Citation:

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).
PubMed: 32414842

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

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
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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 peaks
SPARKY: Backbone or all simulated peaks