BMRB Entry 30991

Name: Structural of the globular isoform of the novel conotoxin PnID derived from Conus pennaceus
Published: 2023-01-18

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PDB ID: 7tvq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30991
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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 of the globular isoform of the novel conotoxin PnID derived from Conus pennaceus

Deposition date:

2022-02-05

Original release date:

2023-01-18

Authors:

Loening, N.; Espiritu, M.

Citation:

Citation: Espiritu, Michael; Taylor, Jonathan; Sugai, Christopher; Thapa, Parashar; Loening, Nikolaus; Gusman, Emma; Baoanan, Zenaida; Baumann, Michael; Bingham, Jon-Paul. "Characterization of the Native Disulfide Isomers of the Novel Chi-Conotoxin PnID: Implications for Further Increasing Conotoxin Diversity" Mar. Drugs 21, 61-61 (2023).
PubMed: 36827103

Assembly members:

Assembly members:
entity_1, polymer, 13 residues, 1321.636 Da.

Natural source:

Natural source: Common Name: Conus pennaceus Taxonomy ID: 37335 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus pennaceus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: STCCGYRMCVPCX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	36
15N chemical shifts	11
1H chemical shifts	74

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 13 residues - 1321.636 Da.

1

SER

THR

CYS

GLY

TYR

ARG

MET

CYS

VAL

2

PRO

CYS

NH2

Samples:

sample_1: PnID A 2 ± 0.2 mM; DSS 0.2 ± 0.02 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 4.0; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

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

CcpNmr Analysis v2.5.2, CCPN - chemical shift assignment

TopSpin v4.1.3, Bruker Biospin - processing

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks