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 18019

Title: High-resolution solution structure of the orally active insecticidal spider venom peptide U1-TRTX-Sp1a

Deposition date: 2011-10-24 Original release date: 2012-10-22

Authors: Hardy, Margaret; Daly, Norelle; Mobli, Mehdi

Citation: Hardy, Margaret; Daly, Norelle; Mobli, Mehdi; King, Glenn. "High-resolution solution structure of the orally active insecticidal spider venom peptide U1-TRTX-Sp1a"  Not known ., .-..

Assembly members:
U1-TRTX-Sp1a, polymer, 33 residues, 3732.358 Da.

Natural source:   Common Name: Australian Featherleg   Taxonomy ID: not available   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Selenotypus plumipes

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
U1-TRTX-Sp1a: DCGHLHDPCPNDRPGHRTCC IGLQCRYGKCLVR

Data sets:
Data typeCount
13C chemical shifts56
15N chemical shifts26
1H chemical shifts208

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1U1-TRTX-Sp1a1

Entities:

Entity 1, U1-TRTX-Sp1a 33 residues - 3732.358 Da.

1   ASPCYSGLYHISLEUHISASPPROCYSPRO
2   ASNASPARGPROGLYHISARGTHRCYSCYS
3   ILEGLYLEUGLNCYSARGTYRGLYLYSCYS
4   LEUVALARG

Samples:

sample_1: U1-TRTX-Sp1a 700 uM; potassium phosphate 10 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.85; pressure: 1 atm; temperature: 298 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 DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CcpNMR, CCPN - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 900 MHz

Related Database Links:

PDB
SP K7N5K9

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