BMRB Entry 30878

Title:
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
Deposition date:
2021-03-12
Original release date:
2022-01-14
Authors:
del Rio-Portilla, F.; Lopez-Giraldo, A.
Citation:

Citation: Lopez-Giraldo, Estefania; Carrillo, Elisa; Titaux-Delgado, Gustavo; Cano-Sanchez, Patricia; Colorado, Alland; Possani, Lourival; Rio-Portilla, Federico Del. "Structural and functional studies of scorpine: A channel blocker and cytolytic peptide"  Toxicon 222, 106985-106985 (2023).
PubMed: 36436588

Assembly members:

Assembly members:
entity_1, polymer, 48 residues, 5310.185 Da.

Natural source:

Natural source:   Common Name: Emperor scorpion   Taxonomy ID: 55084   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Pandinus imperator

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GVHKMAKNEFQCMANMDMLG NCEKHCQTSGEKGYCHGTKC KCGTPLSY

Data sets:
Data typeCount
1H chemical shifts287

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 48 residues - 5310.185 Da.

1   GLYVALHISLYSMETALALYSASNGLUPHE
2   GLNCYSMETALAASNMETASPMETLEUGLY
3   ASNCYSGLULYSHISCYSGLNTHRSERGLY
4   GLULYSGLYTYRCYSHISGLYTHRLYSCYS
5   LYSCYSGLYTHRPROLEUSERTYR

Samples:

sample_1: C-terminal extreme scorpine 5 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 6.8; 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 1H-1H COSYsample_1isotropicsample_conditions_1

Software:

Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.5, Keller and Wuthrich - chemical shift assignment, peak picking

NMRPipe v2014, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker AVANCE III 700 MHz