BMRB Entry 36016

Title:
Structure of roseltide rT1
Deposition date:
2016-08-16
Original release date:
2017-04-24
Authors:
Xiao, T.; Tam, J.
Citation:

Citation: Loo, Shining; Kam, Antony; Xiao, Tianshu; Nguyen, Giang; Liu, Chuan Fa; Tam, James. "Identification and Characterization of Roseltide, a Knottin-type Neutrophil Elastase Inhibitor Derived from Hibiscus sabdariffa"  Sci. Rep. 6, 39401-39401 (2016).
PubMed: 27991569

Assembly members:

Assembly members:
entity_1, polymer, 27 residues, 2629.219 Da.

Natural source:

Natural source:   Common Name: Hibiscus sabdariffa   Taxonomy ID: 183260   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Hibiscus sabdariffa

Experimental source:

Experimental source:   Production method: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CIPRGGICLVALSGCCNSPG CIFGICA

Data sets:
Data typeCount
1H chemical shifts160

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 27 residues - 2629.219 Da.

1   CYSILEPROARGGLYGLYILECYSLEUVAL
2   ALALEUSERGLYCYSCYSASNSERPROGLY
3   CYSILEPHEGLYILECYSALA

Samples:

sample_1: roseltide rT1 1.5 mM; TFA 1.3 mM; sodium chloride 0.3 mM; H2O 95%; D2O, [U-2H], 5%

sample_conditions_1: ionic strength: 0.3 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz