BMRB Entry 4203

Title:
An NMR Conformational Analysis of Synthetic Peptide Cn2(1-15)NH2-S-S-AcetylCn2(52-66)NH2 from the New World Centruroides Noxius 2(Cn2) Scorpion Toxin. Comparison of the Structure with those of the Centruroides Scorpion Toxins.
Deposition date:
1998-09-17
Original release date:
2008-07-18
Authors:
Yamamoto, Hitoshi; Sejbal, Jan; York, Eunice; Stewart, John; Possani, Lourival; Kotovych, George
Citation:

Citation: Yamamoto, Hitoshi; Sejbal, Jan; York, Eunice; Stewart, John; Possani, Lourival; Kotovych, George. "An NMR Conformational Analysis of Synthetic Peptide Cn2(1-15)NH2-S-S-AcetylCn2(52-66)NH2 from the New World Centruroides Noxius 2(Cn2) Scorpion Toxin. Comparison of the Structure with those of the Centruroides Scorpion Toxins."  Biopolymers 49, 277-286 (1999).

Assembly members:

Assembly members:
Cn2(1-15)NH2, polymer, 16 residues, Formula weight is not available
Ac-Cn2(52-66)NH2, polymer, 15 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Centruroides noxius 2   Taxonomy ID: 6878   Superkingdom: Eucaryota   Kingdom: Metazoa   Genus/species: Centruroides noxius

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Cn2(1-15)NH2: KEGYLVDKNTGCKYQX
Ac-Cn2(52-66)NH2: XEQAIVWPLPNKRCX

Data typeCount
1H chemical shifts188
coupling constants21

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Cn2(1-15)NH21
2Ac-Cn2(52-66)NH22

Entities:

Entity 1, Cn2(1-15)NH2 16 residues - Formula weight is not available

1   LYSGLUGLYTYRLEUVALASPLYSASNTHR
2   GLYCYSLYSTYRGLNNH2

Entity 2, Ac-Cn2(52-66)NH2 15 residues - Formula weight is not available

1   3NFGLUGLNALAILEVALTRPPROLEUPRO
2   ASNLYSARGCYSSET

Samples:

sample_one: Cn2(1-15)NH2 5.0 mM; Ac-Cn2(52-66)NH2 5.0 mM

sample_conditions_one: pH: 5.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H NOESYsample_onenot availablesample_conditions_one
1H TOCYsample_onenot availablesample_conditions_one
1H DQF-COSYsample_onenot availablesample_conditions_one

Software:

PIPP v3.99 - Peak picking and assignments

X-PLOR v3.852 - Molecular dynamics calculations

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian Unity 500 MHz