BMRB Entry 30405

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30405
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Title:
Solution NMR structure of the omega conotoxin MoVIB from Conus moncuri
Deposition date:
2018-02-11
Original release date:
2018-03-05
Authors:
Rosengren, K.
Citation:

Citation: Sousa, S.; McArthur, J.; Brust, A.; Bhola, R.; Rosengren, K.; Ragnarsson, L.; Dutertre, S.; Alewood, P.; Christie, M.; Adams, D.; Vetter, I.; Lewis, R.. "Novel analgesic omega-conotoxins from the vermivorous cone snail Conus moncuri provide new insights into the evolution of conopeptides"  Sci. Rep. 8, 13397-13397 (2018).
PubMed: 30194442

Assembly members:

Assembly members:
entity_1, polymer, 30 residues, 3506.154 Da.

Natural source:

Natural source:   Common Name: Conus moncuri   Taxonomy ID: 6490   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CKPXGSKCSXSMRDCCTTCI SYTKRCRKYY

Data sets:
Data typeCount
1H chemical shifts176

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 30 residues - 3506.154 Da.

1   CYSLYSPROHYPGLYSERLYSCYSSERHYP
2   SERMETARGASPCYSCYSTHRTHRCYSILE
3   SERTYRTHRLYSARGCYSARGLYSTYRTYR

Samples:

sample_1: conotoxin MoVIB 2 mg/mL

sample_2: conotoxin MoVIB 2 mg/mL

sample_conditions_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C ECOSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

CARA, Keller and Wuthrich - data analysis

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker AvanceII 900 MHz