BMRB Entry 5112

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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/BMR5112
MolProbity Validation Chart

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Title:
High-resolution Structures for the Psi-conotoxins Indicate Differences in Disulfide Bridge Dynamics
Deposition date:
2001-08-15
Original release date:
2008-08-07
Authors:
Van Wagoner, R.; Ireland, C.
Citation:

Citation: Van Wagoner, R.; Ireland, C.. "An Improved Solution Structure for Psi-conotoxin Piiie"  Biochemistry 42, 6347-6352 (2003).
PubMed: 12767215

Assembly members:

Assembly members:
psi-conotoxin, polymer, 25 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: purple cone   Taxonomy ID: 41690   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus purpurascens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
psi-conotoxin: GXXCCLYGSCRXFXGCYNAL CCRKX

Data sets:
Data typeCount
1H chemical shifts150

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1psi-conotoxin PIIIF1

Entities:

Entity 1, psi-conotoxin PIIIF 25 residues - Formula weight is not available

1   GLYHYPHYPCYSCYSLEUTYRGLYSERCYS
2   ARGHYPPHEHYPGLYCYSTYRASNALALEU
3   CYSCYSARGLYSNH2

Samples:

sample_1: psi-conotoxin 12 mM; tetra-TFA salt 12 mM; H2O 90%; D2O 10%

sample_2: psi-conotoxin 12 mM; tetra-TFA salt 12 mM; D2O 100%

sample_3: psi-conotoxin, [U-13CB]-Cys5,Cys10,Cys16,Cys21,Cys22, 14 mM; tetra-TFA salt 12 mM; H2O 90%; D2O 10%

sample_4: psi-conotoxin, [U-13CB]-Cys4, 16 mM; tetra-TFA salt 12 mM; H2O 90%; D2O 10%

sample_5: psi-conotoxin, [U-13CB]-Cys4, 16 mM; tetra-TFA salt 12 mM; D2O 100%

sample_cond_1: ionic strength: 12 mM; pH: 3.5; pressure: 1 atm; temperature: 277 K

sample_cond_2: ionic strength: 12 mM; pH: 3.5; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
DQF-COSYnot availablenot availablenot available
PE-COSYnot availablenot availablenot available
13C-selected 2D NOESYnot availablenot availablenot available
Double half-filtered 2D NOESYnot availablenot availablenot available
Double half-filtered 2D PE-COSYnot availablenot availablenot available
13C-selected 1D 1H NMRnot availablenot availablenot available

Software:

VNMR v6.1B - collection

FELIX v97.0 - processing

IRMA v97.0 - iterative matrix relaxation

DGII v97.0 - structure solution

DISCOVER v2.98 - structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz

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