BMRB Entry 30954

Title:
Mu-conotoxin KIIIA isomer 2
Deposition date:
2021-09-23
Original release date:
2022-05-16
Authors:
Schroeder, C.; Tran, H.
Citation:

Citation: Tran, H.; McMahon, K.; Dueis, J.; Vetter, I.; Schroeder, C.. "Structural and functional insights into the inhibition of human voltage-gated sodium channels by mu-conotoxin KIIIA disulfide isomers"  J. Biol. Chem. 298, 101728-101728 (2022).
PubMed: 35167877

Assembly members:

Assembly members:
entity_1, polymer, 16 residues, 1895.220 Da.

Natural source:

Natural source:   Common Name: Kinoshita's cone   Taxonomy ID: 376876   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus kinoshitai

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CCNCSSKWCRDHSRCC

Data sets:
Data typeCount
13C chemical shifts38
15N chemical shifts16
1H chemical shifts92

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 16 residues - 1895.220 Da.

1   CYSCYSASNCYSSERSERLYSTRPCYSARG
2   ASPHISSERARGCYSCYS

Samples:

sample_1: KIIIA 2 mg/mL

sample_2: KIIIA 2 mg/mL

sample_conditions_1: ionic strength: 0 Not defined; pH: 3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-13C HSQCsample_2anisotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection, data analysis

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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