BMRB Entry 30921

Title:
NMR structure of EpI-OH
Deposition date:
2021-05-28
Original release date:
2021-11-05
Authors:
Conibear, A.; Rosengren, K.; Lee, H.
Citation:

Citation: Ho, T.; Lee, H.; Swaminathan, S.; Goodwin, L.; Rai, N.; Ushay, B.; Lewis, R.; Rosengren, K.; Conibear, A.. "Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding"  RSC Med. Chem. 12, 1574-1584 (2021).
PubMed: 34671739

Assembly members:

Assembly members:
entity_1, polymer, 16 residues, 1873.056 Da.

Natural source:

Natural source:   Common Name: Bishop's cone   Taxonomy ID: 88764   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus episcopatus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GCCSDPRCNMNNPDXC

Data sets:
Data typeCount
13C chemical shifts41
15N chemical shifts15
1H chemical shifts85

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 - 1873.056 Da.

1   GLYCYSCYSSERASPPROARGCYSASNMET
2   ASNASNPROASPTYSCYS

Samples:

sample_1: Alpha-conotoxin EpI-[Y(SO3)15Y]-NH2 1.0 mg/mL; DSS 10 uM

sample_conditions_1: ionic strength: 5 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger A. T. et.al. - refinement

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis vv3, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE 700 MHz

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