BMRB Entry 30536

Title:
Solution structure of gomesin at 310K
Deposition date:
2018-11-01
Original release date:
2019-10-30
Authors:
Chin, Y.; Deplazes, E.
Citation:

Citation: Deplazes, Evelyne; Chin, Yanni K-Y; King, Glenn; Mancera, Ricardo. "The unusual conformation of cross-strand disulfide bonds is critical to the stability of beta-hairpin peptides"  Proteins 88, 485-502 (2020).
PubMed: 31589791

Assembly members:

Assembly members:
entity_1, polymer, 19 residues, 2279.762 Da.

Natural source:

Natural source:   Common Name: Acanthoscurria gomesiana   Taxonomy ID: 115339   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Acanthoscurria gomesiana

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XCRRLCYKQRCVTYCRGRX

Data sets:
Data typeCount
13C chemical shifts57
15N chemical shifts24
1H chemical shifts135

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 19 residues - 2279.762 Da.

1   PCACYSARGARGLEUCYSTYRLYSGLNARG
2   CYSVALTHRTYRCYSARGGLYARGNH2

Samples:

sample_1: Gomesin 1.4 mM; D2O 5%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 310 K

Experiments:

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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, refinement, structure calculation

Analysis, CCPN - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - collection, processing

TALOS, Cornilescu, Delaglio and Bax; TALOSn version - geometry optimization

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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