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 30470

Title: NMR Solution structure of Rivi3

Deposition date: 2018-05-21 Original release date: 2019-04-09

Authors: Harvey, P.; Craik, D.

Citation: Niyomploy, P.; Chan, L.; Harvey, P.; Poth, A.; Colgrave, M.; Craik, D.. "Discovery, structure and biological activities of novel cyclotides from Rinorea virgata and Rinorea bengalensis"  . ., .-..

Assembly members:
entity_1, polymer, 29 residues, 3139.782 Da.

Natural source:   Common Name: Rinorea virgata   Taxonomy ID: 1343662   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Rinorea virgata

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GLPICGETCLLGKCYTPGCS CRRPVCYKN

Data sets:
Data typeCount
13C chemical shifts69
15N chemical shifts23
1H chemical shifts197

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 29 residues - 3139.782 Da.

1   GLYLEUPROILECYSGLYGLUTHRCYSLEU
2   LEUGLYLYSCYSTYRTHRPROGLYCYSSER
3   CYSARGARGPROVALCYSTYRLYSASN

Samples:

sample_1: peptide 2.0 mg/mL

sample_conditions_1: pH: 4.1; 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:

TOPSPIN v3.5, Bruker Biospin - collection

CcpNMR, CCPN - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

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