BMRB Entry 20122

Name: Solution structure of CCAP-vil with one disulfide bond from Conus villepinii
Published: 2010-08-16

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20122

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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 CCAP-vil with one disulfide bond from Conus villepinii

Deposition date:

2010-02-04

Original release date:

2010-08-16

Authors:

Ohlenschlaeger, Oliver; Imhof, Diana; Miloslavina, Alesia

Citation:

Citation: Miloslavina, Alesia; Ebert, Christina; Tietze, Daniel; Ohlenschlaeger, Oliver; Englert, Christoph; Goerlach, Matthias; Imhof, Diana. "An unusual peptide from Conus villepinii: synthesis, solution structure, and cardioactivity" Peptides 31, 1292-1300 (2010).
PubMed: 20385188

Assembly members:

Assembly members:
CCAP-vil, polymer, 10 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Villepin's cone Taxonomy ID: 257347 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus Conus villepinii

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CCAP-vil: PFCNSFGCYN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates

Data type	Count
1H chemical shifts	57

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CCAP-vil	1

Entities:

Entity 1, CCAP-vil 10 residues - Formula weight is not available

1

PRO

PHE

CYS

ASN

SER

PHE

GLY

CYS

TYR

ASN

Samples:

sample_1: CCAP-vil 2.9 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6; temperature: 298 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection, processing

XEASY, Bartels et al. - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

Bruker AvanceIII 750 MHz