BMRB Entry 36413

Name: NMR solution structure of Bt14.12, a novel A-family conotoxin from Conus betulinus
Published: 2025-10-26

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PDB ID: 7edk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36413
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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:

NMR solution structure of Bt14.12, a novel A-family conotoxin from Conus betulinus

Deposition date:

2021-03-16

Original release date:

2025-10-26

Authors:

Zhang, H.; Lin, D.; Guo, C.

Citation:

Citation: Zhang, H.; Lin, D.; Guo, C.. "Structure of peptide Bt14.12" .

Assembly members:

Assembly members:
Conotoxin Bt14.16, polymer, 19 residues, 2197.59 Da.

Natural source:

Natural source: Common Name: Beech cone Taxonomy ID: 89764 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus betulinus

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Conotoxin Bt14.16: GDCKPCMHPDCRFNPGRCR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	49
15N chemical shifts	16
1H chemical shifts	108

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 19 residues - 2197.59 Da.

1

GLY

ASP

CYS

LYS

PRO

CYS

MET

HIS

PRO

ASP

2

CYS

ARG

PHE

ASN

PRO

GLY

ARG

CYS

ARG

Samples:

non-labeled_sample: Conotoxin Bt14.16, [U-13C; U-15N], mM; sodium phosphate 20 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 20 mM; pH: 5.5; pressure: 1 bar; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

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

NMRFAM-SPARKY, Lee, Tonelli, Markley, et al. - chemical shift assignment

NMRFAM-SPARKY, Lee, Tonelli, Markley, et al. - peak picking

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

NMR spectrometers:

Bruker AVANCE III 850 MHz

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