BMRB Entry 53313

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53313
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
CTX14
Deposition date:
2025-08-12
Original release date:
2026-06-05
Authors:
Hackney, Celeste; Koch, Thomas; Ryding, Nicklas; Rogalski, Aymeric; Watkins, Maren; Olivera, Baldomero; Safavi-Hemami, Helena; Teilum, Kaare; Ellgaard, Lars
Citation:

Citation: Hackney, Celeste; Koch, Thomas; Ryding, Nicklas; Rogalski, Aymeric; Watkins, Maren; Olivera, Baldomero; Safavi-Hemami, Helena; Teilum, Kaare; Ellgaard, Lars. "Chemical shifts of the conotoxin CTX14"  .

Assembly members:

Assembly members:
entity_1, polymer, 73 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Conus magus   Taxonomy ID: 6492   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus magus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pLE657

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: QFFCPDSENDPLNCVETMAT TATCMQSNKDKSYSYACGYC GKKKESCFGNKVPVRDYNCK SRNIVNPCGGAAL

Data sets:
Data typeCount
13C chemical shifts219
15N chemical shifts58
1H chemical shifts344

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1conotoxin CTX141

Entities:

Entity 1, conotoxin CTX14 73 residues - Formula weight is not available

1   GLNPHEPHECYSPROASPSERGLUASNASP
2   PROLEUASNCYSVALGLUTHRMETALATHR
3   THRALATHRCYSMETGLNSERASNLYSASP
4   LYSSERTYRSERTYRALACYSGLYTYRCYS
5   GLYLYSLYSLYSGLUSERCYSPHEGLYASN
6   LYSVALPROVALARGASPTYRASNCYSLYS
7   SERARGASNILEVALASNPROCYSGLYGLY
8   ALAALALEU

Samples:

sample_1: CTX14, [U-100% 13C; U-100% 15N], 500 uM; MES 10 mM; NaCl 200 mM

sample_2: CTX14, [U-100% 13C; U-100% 15N], 500 uM; MES 10 mM; NaCl 200 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1

Software:

CcpNMR - chemical shift assignment

CYANA - structure solution

XPLOR-NIH - refinement

TOPSPIN - collection

NMR spectrometers:

  • Bruker AVANCE IIIHD 750 MHz

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