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 30317

Title: Solution NMR structure of PaurTx-3

Authors: Agwa, A.; Schroeder, C.

Citation: Agwa, A.; Schroeder, C.. "Solution NMR structure of PaurTx-3"  Toxins (MDPI) ., .-..

Assembly members:
Beta-theraphotoxin-Ps1a, polymer, 34 residues, 4072.825 Da.

Natural source:   Common Name: Chilean copper tarantula   Taxonomy ID: 269635   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Paraphysa Scrofa

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Beta-theraphotoxin-Ps1a: DCLGFLWKCNPSNDKCCRPN LVCSRKDKWCKYQI

Data sets:
Data typeCount
13C chemical shifts93
15N chemical shifts34
1H chemical shifts252

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 34 residues - 4072.825 Da.

1   ASPCYSLEUGLYPHELEUTRPLYSCYSASN
2   PROSERASNASPLYSCYSCYSARGPROASN
3   LEUVALCYSSERARGLYSASPLYSTRPCYS
4   LYSTYRGLNILE

Samples:

sample_1: PaurTx-3 1 mg/mL

sample_2: PaurTx-3 1 mg/mL

sample_conditions_1: pH: 4; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 4; pressure: 1 atm; temperature: 283 K

sample_conditions_3: pH: 4; pressure: 1 atm; temperature: 288 K

sample_conditions_4: pH: 4; pressure: 1 atm; temperature: 293 K

sample_conditions_5: pH: 4; pressure: 1 atm; temperature: 303 K

sample_conditions_6: pH: 4; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
1D 1Hsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_3
2D 1H-1H TOCSYsample_1isotropicsample_conditions_4
2D 1H-1H TOCSYsample_1isotropicsample_conditions_5
2D 1H-1H TOCSYsample_1isotropicsample_conditions_6
2D ECOSYsample_1isotropicsample_conditions_1

Software:

Analysis, CCPN - chemical shift assignment, peak picking

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links: