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 17015

Title: CUPIENNIN 1A, NMR, MINIMIZED AVERAGE STRUCTURE   PubMed: 17319697

Deposition date: 2010-06-22 Original release date: 2011-06-01

Authors: Pukala, T.; Boland, M.; Gehman, J.; Kuhn-Nentwig, L.; Separovic, F.; Bowie, J.

Citation: Pukala, Tara; Boland, Martin; Gehman, John; Kuhn-Nentwig, Lucia; Separovic, Frances; Bowie, John. "Solution structure and interaction of cupiennin 1a, a spider venom peptide, with phospholipid bilayers."  Biochemistry 46, 3576-3585 (2007).

Assembly members:
CUPIENNIN_1A, polymer, 35 residues, 3807.631 Da.

Natural source:   Common Name: spider   Taxonomy ID: 6928   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Cupiennius salei

Experimental source:   Production method: purified from the natural source   Host organism: Cupiennius Salei

Entity Sequences (FASTA):
CUPIENNIN_1A: GFGALFKFLAKKVAKTVAKQ AAKQGAKYVVNKQME

Data sets:
Data typeCount
13C chemical shifts35
1H chemical shifts268

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CUPIENNIN 1A1

Entities:

Entity 1, CUPIENNIN 1A 35 residues - 3807.631 Da.

1   GLYPHEGLYALALEUPHELYSPHELEUALA
2   LYSLYSVALALALYSTHRVALALALYSGLN
3   ALAALALYSGLNGLYALALYSTYRVALVAL
4   ASNLYSGLNMETGLU

Samples:

sample_1: CUPIENNIN 1A 2 mM; trifluoroethanol; water

sample_conditions_1: pH: 2.6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

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

ARIA, Linge, O, . - structure solution

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
SP B3EWU1 P83619