BMRB Entry 18972

Name: SOLUTION STRUCTURE OF THE SOMATOSTATIN SST3 RECEPTOR ANTAGONIST TAU-CONOTOXIN CnVA
Published: 2015-07-23

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PDB ID: 3zkt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18972
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 THE SOMATOSTATIN SST3 RECEPTOR ANTAGONIST TAU-CONOTOXIN CnVA

Deposition date:

2013-01-24

Original release date:

2015-07-23

Authors:

Petrel, C.; Hocking, Henry; Reynaud, M.; Favreau, P.; Paolini-bertrand, M.; Peigneur, S.; Upert, G.; Tytgat, J.; Gilles, N.; Hartley, O.; Boelens, R.; Stocklin, R.; Servent, D.; Servent, R.

Citation:

Citation: Petrel, C.; Hocking, Henry; Reynaud, M.; Favreau, P.; Paolini-bertrand, M.; Peigneur, S.; Upert, G.; Tytgat, J.; Gilles, N.; Hartley, O.; Boelens, R.; Stocklin, R.; Servent, D.. "Identification, structural and pharmacological characterization of tau-CnVA, a conopeptide that selectively interacts with somatostatin sst3 receptor" Biochem. Pharmacol. 85, 1663-1671 (2013).
PubMed: 23567999

Assembly members:

Assembly members:
TAU-CNVA, polymer, 15 residues, 1717.068 Da.

Natural source:

Natural source: Common Name: Conus consors Taxonomy ID: 101297 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus consors

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TAU-CNVA: ECCHRQLLCCLRFVX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	51
1H chemical shifts	103

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TAU-CNVA	1

Entities:

Entity 1, TAU-CNVA 15 residues - 1717.068 Da.

1

GLU

CYS

HIS

ARG

GLN

LEU

CYS

2

LEU

ARG

PHE

VAL

NH2

Samples:

sample_1: TAU-CNVA, [U-13C; U-15N], 2.3 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 3.000; pressure: 1 atm; temperature: 295.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	solution	sample_conditions_1
DQF-COSY	sample_1	solution	sample_conditions_1
e-COSY	sample_1	solution	sample_conditions_1
TOCSY	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, PDBe - collection

CCPN_Analysis vany, CCPN - data analysis

CNS vany, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz