BMRB Entry 30991

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:
Data typeCount
13C chemical shifts36
15N chemical shifts11
1H chemical shifts74

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 13 residues - 1321.636 Da.

1   SERTHRCYSCYSGLYTYRARGMETCYSVAL
2   PROCYSNH2

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:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
2D TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_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