BMRB Entry 30938

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30938
MolProbity Validation Chart

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Title:
hyen D solution structure
Deposition date:
2021-07-29
Original release date:
2022-02-25
Authors:
Du, Q.; Huang, Y.; Craik, D.; Wang, C.
Citation:

Citation: Du, Qingdan; Huang, Yen-Hua; Wang, Conan; Kaas, Quentin; Craik, David. "Mutagenesis of bracelet cyclotide hyen D reveals functionally and structurally critical residues for membrane binding and cytotoxicity"  J. Biol. Chem. 298, 101822-101822 (2022).
PubMed: 35283188

Assembly members:

Assembly members:
entity_1, polymer, 30 residues, 3182.778 Da.

Natural source:

Natural source:   Common Name: Spade flower, Viola enneasperma   Taxonomy ID: 212266   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Hybanthus enneaspermus

Experimental source:

Experimental source:   Production method: .

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: 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
1unit_11

Entities:

Entity 1, unit_1 30 residues - 3182.778 Da.

1   GLYPHEPROCYSGLYGLUSERCYSVALTYR
2   ILEPROCYSPHETHRALAALAILEGLYCYS
3   SERCYSLYSSERLYSVALCYSTYRLYSASN

Samples:

sample_1: hyen D 4 mg/mL; H2O 90%; D2O 10%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment

TopSpin, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz

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