BMRB Entry 6506
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6506
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Title: Conkunitzin-S1 is the first member of a new Kunitz-type neurotoxin family - Structural and functional characterization PubMed: 15833744
Deposition date: 2005-02-17 Original release date: 2005-08-22
Authors: Bayrhuber, M.; Vijayan, V.; Ferber, M.; Graf, R.; Korukottu, J.; Olivera, B.; Terlau, H.; Zweckstetter, M.; Becker, S.
Citation: Bayrhuber, M.; Vijayan, V.; Ferber, M.; Graf, R.; Korukottu, J.; Imperial, J.; Garrett, J.; Olivera, B.; Terlau, H.; Zweckstetter, M.; Becker, S.. "Conkunitzin-S1 Is the First Member of a New Kunitz-type Neurotoxin Family: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION." J. Biol. Chem. 280, 23766-23770 (2005).
Assembly members:
Conkunitzin-S1, polymer, 60 residues, Formula weight is not available
Natural source: Common Name: striated cone Taxonomy ID: 6493 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus striatus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Conkunitzin-S1: KDRPSLCDLPADSGSGTKAE
KRIYYNSARKQCLRFDYTGQ
GGNENNFRRTYDCQRTCLYT
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 209 |
| 15N chemical shifts | 55 |
| 1H chemical shifts | 302 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Conkunitzin-S1 | 1 |
Entities:
Entity 1, Conkunitzin-S1 60 residues - Formula weight is not available
| 1 | LYS | ASP | ARG | PRO | SER | LEU | CYS | ASP | LEU | PRO | |
| 2 | ALA | ASP | SER | GLY | SER | GLY | THR | LYS | ALA | GLU | |
| 3 | LYS | ARG | ILE | TYR | TYR | ASN | SER | ALA | ARG | LYS | |
| 4 | GLN | CYS | LEU | ARG | PHE | ASP | TYR | THR | GLY | GLN | |
| 5 | GLY | GLY | ASN | GLU | ASN | ASN | PHE | ARG | ARG | THR | |
| 6 | TYR | ASP | CYS | GLN | ARG | THR | CYS | LEU | TYR | THR |
Samples:
sample_1: Conkunitzin-S1, [U-15N; U-13C], 1 mM; sodium acetate buffer 100 mM; H2O 90%; D2O 10%
sample_2: Conkunitzin-S1, [U-15N], 0.5 mM; sodium acetate buffer 100 mM; H2O 90%; D2O 10%
sample_3: Conkunitzin-S1, [U-15N; U-13C], 0.5 mM; sodium acetate buffer 100 mM
conditions_1: pH: 5.2; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| not available | not available | not available | conditions_1 |
Software:
xwinnmr v3.5 - collection
NMRPipe v97.027.12.56 - processing
NMRDraw v2.3 Rev 2004.245.17.31 - processing
SPARKY v3.110 - data analysis
ARIA v2alpha - structure solution
MARS v1.0 - data analysis
CYANA v2.0.32 - refinement
NMR spectrometers:
- Bruker AVANCE 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts