BMRB Entry 30719

Title:
NMR solution structure of tamapin, mutant K20A   PubMed: 32832033
Deposition date:
2020-01-29
Original release date:
2020-07-27
Authors:
del Rio Portilla, F.; Melchor Meneses, C.; Mayorga Flores, M.
Citation:

Citation: Mayorga-Flores, Marlen; Chantome, Aurelie; Melchor-Meneses, Carolina Monserrath; Domingo, Isabelle; Titaux-Delgado, Gustavo Alfredo; Galindo-Murillo, Rodrigo; Vandier, Christophe; Del Rio-Portilla, Federico. "Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells"  ACS Med. Chem. Lett. 11, 1627-1633 (2020).

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 3412.083 Da.

Natural source:

Natural source:   Common Name: Eastern Indian scorpion   Taxonomy ID: 34647   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Hottentotta tamulus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Experimental source:

Natural source:   Common Name: Eastern Indian scorpion   Taxonomy ID: 34647   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Hottentotta tamulus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AFCNLRRCELSCRSLGLLGA CIGEECKCVPY

Data sets:
Data typeCount
1H chemical shifts203

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 31 residues - 3412.083 Da.

1   ALAPHECYSASNLEUARGARGCYSGLULEU
2   SERCYSARGSERLEUGLYLEULEUGLYALA
3   CYSILEGLYGLUGLUCYSLYSCYSVALPRO
4   TYR

Samples:

sample_1: sample_k20a 2.2 mM

sample_conditions_1: ionic strength: 0 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

Amber vAMBER16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement

CYANA vCYANA 2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA vCARA 1.8, Keller and Wuthrich - chemical shift assignment, peak picking

NMRPipe vNMRPIPE 2014, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 500 MHz