BMRB Entry 30519

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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/BMR30519
MolProbity Validation Chart

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Title:
NMR Solution structure of GIIIC
Deposition date:
2018-09-20
Original release date:
2018-11-26
Authors:
Harvey, P.; Durek, T.; Craik, D.
Citation:

Citation: Harvey, P.; Kurniawan, N.; Finol-Urdaneta, R.; McArthur, J.; Van Lysebetten, D.; Dash, T.; Hill, J.; Adams, D.; Durek, T.; Craik, D.. "NMR Structure of mu-Conotoxin GIIIC: Leucine 18 Induces Local Repacking of the N-Terminus Resulting in Reduced NaVChannel Potency."  Molecules 23, E2715-E2715 (2018).
PubMed: 30360356

Assembly members:

Assembly members:
entity_1, polymer, 23 residues, 2607.219 Da.

Natural source:

Natural source:   Common Name: geography cone   Taxonomy ID: 6491   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus geographus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: RDCCTXXKKCKDRRCKXLKC CAX

Data sets:
Data typeCount
13C chemical shifts59
15N chemical shifts16
1H chemical shifts142

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 23 residues - 2607.219 Da.

1   ARGASPCYSCYSTHRHYPHYPLYSLYSCYS
2   LYSASPARGARGCYSLYSHYPLEULYSCYS
3   CYSALANH2

Samples:

sample_1: GIIIC 2.0 ± 0.1 mM

sample_2: GIIIC 2.0 ± 0.1 mM

sample_conditions_1: pH: 3.5 pH*; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D ECOSYsample_2isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

CcpNMR, CCPN - chemical shift assignment

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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