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 30521

Title: Solution NMR structure of spider toxin analogue [E17K]ProTx-II   PubMed: 30507158

Deposition date: 2018-09-25 Original release date: 2018-12-13

Authors: Schroeder, C.

Citation: Lawrence, N.; Wu, B.; Ligutti, J.; Cheneval, O.; Agwa, A.; Benfield, A.; Biswas, K.; Craik, D.; Miranda, L.; Henriques, S.; Schroeder, C.. "Peptide-Membrane Interactions Affect the Inhibitory Potency and Selectivity of Spider Toxins ProTx-II and GpTx-1"  ACS Chem. Biol. 14, 118-130 (2019).

Assembly members:
entity_1, polymer, 30 residues, 3839.754 Da.

Natural source:   Common Name: Peruvian green velvet tarantula   Taxonomy ID: 213387   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Thrixopelma pruriens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: YCQKWMWTCDSERKCCKGMV CRLWCKKKLW

Data sets:
Data typeCount
13C chemical shifts86
15N chemical shifts28
1H chemical shifts219

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 30 residues - 3839.754 Da.

1   TYRCYSGLNLYSTRPMETTRPTHRCYSASP
2   SERGLUARGLYSCYSCYSLYSGLYMETVAL
3   CYSARGLEUTRPCYSLYSLYSLYSLEUTRP

Samples:

sample_1: [E17K]ProTx-II 2 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 Pa; temperature: 298 K

sample_conditions_2: ionic strength: 0 mM; pH: 3.5; pressure: 1 Pa; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1anisotropicsample_conditions_1
2D TOCSYsample_1anisotropicsample_conditions_1
2D NOESYsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-13C HSQCsample_1anisotropicsample_conditions_2
E. COSYsample_1anisotropicsample_conditions_2

Software:

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

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

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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