BMRB Entry 17876

Name: STRUCTURAL AND FUNCTIONAL ANALYSIS OF A NOVEL POTASSIUM TOXI ARGENTINEAN SCORPION TITYUS TRIVITTATUS REVEALS A NEW KAPPA SUB-FAMILY
Published: 2012-01-12

Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17876

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

STRUCTURAL AND FUNCTIONAL ANALYSIS OF A NOVEL POTASSIUM TOXI ARGENTINEAN SCORPION TITYUS TRIVITTATUS REVEALS A NEW KAPPA SUB-FAMILY

Deposition date:

2011-08-19

Original release date:

2012-01-12

Authors:

Saucedo-Yanez, A.; Del Rio-Portilla, F.; Hernandez-Lopez, R.

Citation:

Citation: Saucedo, Alma Leticia; Flores-Solis, David; Rodriguez de la Vega, Ricardo; Ramirez-Cordero, Belen; Hernandez-Lopez, Rogelio; Cano-Sanchez, Patricia; Noriega-Navarro, Roxana; Garcia-Valdes, Jesus; Coronas-Valderrama, Fredy; de Roodt, Adolfo; Brieba, Luis; Possani, Lourival Domingos; Del Rio-Portilla, Federico. "New tricks of an old pattern: structural versatility of scorpion toxins with common cysteine spacing." J. Biol. Chem. ., .-. (2012).
PubMed: 22238341

Assembly members:

Assembly members:
KAPPA-KTX3.1_SCORPION_TOXIN, polymer, 30 residues, 3334.915 Da.

Natural source:

Natural source: Common Name: scorpions Taxonomy ID: 369776 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus trivittatus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Pet32 modified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
KAPPA-KTX3.1_SCORPION_TOXIN: GSGCMPEYCAGQCRGKVSQD YCLKNCRCIR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	185

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KAPPA-KTX3.1 SCORPION TOXIN	1

Entities:

Entity 1, KAPPA-KTX3.1 SCORPION TOXIN 30 residues - 3334.915 Da.

1	GLY	SER	GLY	CYS	MET	PRO	GLU	TYR	CYS	ALA
2	GLY	GLN	CYS	ARG	GLY	LYS	VAL	SER	GLN	ASP
3	TYR	CYS	LEU	LYS	ASN	CYS	ARG	CYS	ILE	ARG

Samples:

sample: KAPPA-KTX3.1 SCORPION TOXIN 2.3 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample	isotropic	sample_conditions_1
2D DQF-C	sample	isotropic	sample_conditions_1

Software:

CYANA v2.1, D.A.CASE, ET AL. - refinement

NMRPipe, Delaglio, Zhengrong and Bax - structure solution

XEASY, Bartels et al. - structure solution

CARA v1.5, Keller and Wuthrich - structure solution

Molmol, Koradi, Billeter and Wuthrich - structure solution

AMBER, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

VARIAN INOVA 500 MHz
Varian UNITY 500 MHz

PDB	2LI3
SP	B3A0L5
AlphaFold	B3A0L5

1	GLY	SER	GLY	CYS	MET	PRO	GLU	TYR	CYS	ALA
2	GLY	GLN	CYS	ARG	GLY	LYS	VAL	SER	GLN	ASP
3	TYR	CYS	LEU	LYS	ASN	CYS	ARG	CYS	ILE	ARG

1	GLY	SER	GLY	CYS	MET	PRO	GLU	TYR	CYS	ALA
2	GLY	GLN	CYS	ARG	GLY	LYS	VAL	SER	GLN	ASP
3	TYR	CYS	LEU	LYS	ASN	CYS	ARG	CYS	ILE	ARG