BMRB

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 30749

Title: Solution structure of the seed peptide C2 (VBP-1) from pumpkin   PubMed: 32997497

Deposition date: 2020-04-29 Original release date: 2020-10-19

Authors: Payne, C.; Rosengren, K.

Citation: Payne, Colton; Vadlamani, Grishma; Fisher, Mark; Zhang, Jingjing; Clark, Richard; Mylne, Joshua; Rosengren, K Johan. "Defining the Familial Fold of the Vicilin-Buried Peptide Family"  J. Nat. Prod. ., .-. (2020).

Assembly members:
entity_1, polymer, 49 residues, 5844.458 Da.

Natural source:   Common Name: Pumpkin   Taxonomy ID: 3661   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Cucurbita maxima

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XRGSPRAEYEVCRLRCQVAE RGVEQQRKCEQVCEERLRER EQGRGEDVD

Data sets:
Data typeCount
13C chemical shifts87
15N chemical shifts43
1H chemical shifts311

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 49 residues - 5844.458 Da.

1   PCAARGGLYSERPROARGALAGLUTYRGLU
2   VALCYSARGLEUARGCYSGLNVALALAGLU
3   ARGGLYVALGLUGLNGLNARGLYSCYSGLU
4   GLNVALCYSGLUGLUARGLEUARGGLUARG
5   GLUGLNGLYARGGLYGLUASPVALASP

Samples:

sample_1: C2 2 mg/mL

sample_conditions_1: ionic strength: 0 mM; 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-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

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