BMRB Entry 11535

Name: Solution structure of navitoxin
Published: 2014-04-22

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PDB ID: 2rty
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11535
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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:

Solution structure of navitoxin

Deposition date:

2013-10-16

Original release date:

2014-04-22

Authors:

Umetsu, Yoshitaka; Ohki, Shinya

Citation:

Citation: Zhu, Shunyi; Peigneur, Steve; Gao, Bin; Umetsu, Yoshitaka; Ohki, Shinya; Tytgat, Jan. "Experimental conversion of a defensin into a neurotoxin: implications for origin of toxic function" Mol. Biol. Evol. 31, 546-559 (2014).
PubMed: 24425781

Assembly members:

Assembly members:
entity, polymer, 30 residues, 3280.877 Da.

Natural source:

Natural source: Common Name: jewel wasp Taxonomy ID: 7425 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Nasonia vitripennis

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: FSCDHSACAVRCLAQRRKGG KCKNGDCVCR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	191

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 30 residues - 3280.877 Da.

1	PHE	SER	CYS	ASP	HIS	SER	ALA	CYS	ALA	VAL
2	ARG	CYS	LEU	ALA	GLN	ARG	ARG	LYS	GLY	GLY
3	LYS	CYS	LYS	ASN	GLY	ASP	CYS	VAL	CYS	ARG

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

BMRB Entry 11535

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	PHE	SER	CYS	ASP	HIS	SER	ALA	CYS	ALA	VAL
2	ARG	CYS	LEU	ALA	GLN	ARG	ARG	LYS	GLY	GLY
3	LYS	CYS	LYS	ASN	GLY	ASP	CYS	VAL	CYS	ARG

1	PHE	SER	CYS	ASP	HIS	SER	ALA	CYS	ALA	VAL
2	ARG	CYS	LEU	ALA	GLN	ARG	ARG	LYS	GLY	GLY
3	LYS	CYS	LYS	ASN	GLY	ASP	CYS	VAL	CYS	ARG

1	PHE	SER	CYS	ASP	HIS	SER	ALA	CYS	ALA	VAL
2	ARG	CYS	LEU	ALA	GLN	ARG	ARG	LYS	GLY	GLY
3	LYS	CYS	LYS	ASN	GLY	ASP	CYS	VAL	CYS	ARG