BMRB Entry 30568

Name: SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM
Published: 2019-06-25

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PDB ID: 6nw8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30568
MolProbity Validation Chart

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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 CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM

Deposition date:

2019-02-06

Original release date:

2019-06-25

Authors:

Delepierre, M.; Gurrola, G.; Possani, L.; Guijarro, J.

Citation:

Citation: Gurrola, G.; Guijarro, J.; Delepierre, M.; Mendoza, R.; Cid-Uribe, J.; Coronas, F.; Possani, L.. "Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function." Toxicon 167, 184-191 (2019).
PubMed: 31226259

Assembly members:

Assembly members:
entity_1, polymer, 27 residues, 2831.280 Da.

Natural source:

Natural source: Common Name: Mexican scorpion Taxonomy ID: 6878 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Centruroides noxius

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: LCLSCRGGDYDCRVKGTCEN GKCVCGS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	168

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 27 residues - 2831.280 Da.

1

LEU

CYS

LEU

SER

CYS

ARG

GLY

ASP

TYR

2

ASP

CYS

ARG

VAL

LYS

GLY

THR

CYS

GLU

ASN

3

GLY

LYS

CYS

VAL

CYS

GLY

SER

Samples:

sample_1: Cn29 0.19 mM

sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298.15 K

Experiments:

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

Software:

TopSpin v4.0.5, Bruker Biospin - collection

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

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMR spectrometers:

Bruker AVANCE NEO 800 MHz