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 30748

Title: Solution structure of vicilin-buried peptide-10 from cucumber   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, 35 residues, 4328.845 Da.

Natural source:   Common Name: Cucumber   Taxonomy ID: 3659   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Cucumis sativus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XKETEICRQWCQVMKPQGGE EQRRCQQECEERLRD

Data sets:
Data typeCount
13C chemical shifts81
1H chemical shifts225

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 35 residues - 4328.845 Da.

1   PCALYSGLUTHRGLUILECYSARGGLNTRP
2   CYSGLNVALMETLYSPROGLNGLYGLYGLU
3   GLUGLNARGARGCYSGLNGLNGLUCYSGLU
4   GLUARGLEUARGASP

Samples:

sample_1: VBP-10 1.5 mg/mL

sample_2: VBP-10 1.5 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D TOCSYsample_1isotropicsample_conditions_1
2D NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D NOESYsample_2isotropicsample_conditions_2

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