BMRB Entry 30149

Title:
Heteronuclear Solution Structure of Chlorotoxin
Deposition date:
2016-07-28
Original release date:
2017-08-04
Authors:
Mobli, M.; Braga, C.; Sharma, G.
Citation:

Citation: Braga, C.; Sharma, G.; Jia, X.; Ramanujam, V.; Rittner, R.; Mobli, M.. "Solution structure and dynamics of Chlorotoxin, a glioma specific scorpion toxin"  .

Assembly members:

Assembly members:
entity_1, polymer, 36 residues, 4011.813 Da.

Natural source:

Natural source:   Common Name: Egyptian scorpion   Taxonomy ID: 6885   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Leiurus quinquestriatus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pLIC-C

Experimental source:

Natural source:   Common Name: Egyptian scorpion   Taxonomy ID: 6885   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Leiurus quinquestriatus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pLIC-C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MCMPCFTTDHQMARKCDDCC GGKGRGKCYGPQCLCR

Data typeCount
13C chemical shifts136
15N chemical shifts37
1H chemical shifts222

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 36 residues - 4011.813 Da.

1   METCYSMETPROCYSPHETHRTHRASPHIS
2   GLNMETALAARGLYSCYSASPASPCYSCYS
3   GLYGLYLYSGLYARGGLYLYSCYSTYRGLY
4   PROGLNCYSLEUCYSARG

Samples:

sample_1: Chlorotoxin, [U-13C; U-15N], 370 ± 10 uM; D2O 5 ± 1 %; sodium phosphate 20 ± 1 mM

sample_conditions_1: ionic strength: 20 mM; pH: 5.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1

Software:

CYANA v3, Guntert, Mumenthaler and Wuthrich - geometry optimization

Rowland NMR Toolkit v3, Jeffrey C. Hoch, Alan S. Stern; University of Connecticut - processing

TALOS vN, Cornilescu, Delaglio and Bax - data analysis

TOPSPIN v3.1, Bruker Biospin - collection

Analysis v2, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker AvanceIII 900 MHz

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