BMRB Entry 25151
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25151
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Title: Solution structure of spider-venom peptide Hs1a
Deposition date: 2014-08-14 Original release date: 2015-08-17
Authors: Klint, Julie; King, Glenn; Mobli, Mehdi
Citation: Klint, Julie; Castro, Joel; Vetter, Irina; Er, Sing; Cardoso, Fernanda; Liu, Yi; Hagan, Rebecca; Neff, Robert; Minassian, Natali; Huang, Johnny; Cooper, Matt; Wickenden, Alan; Mobli, Mehdi; Jin, Lian; Nicolazzo, Joseph; Lewis, Richard; Bosmans, Frank; Brierley, Stuart; King, Glenn. "Nav1.7 inhibitors normalise mechanical responses in chronic visceral hypersensitivity" Not known ., .-..
Assembly members:
Hs1a, polymer, 35 residues, 3866.550 Da.
Natural source: Common Name: Tarantula Taxonomy ID: 118971 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hysterocrates spec
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Hs1a: GNDCLGFWSACNPKNDKCCA
NLVCSSKHKWCKGKL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 111 |
| 15N chemical shifts | 39 |
| 1H chemical shifts | 228 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Hs1a | 1 |
Entities:
Entity 1, Hs1a 35 residues - 3866.550 Da.
| 1 | GLY | ASN | ASP | CYS | LEU | GLY | PHE | TRP | SER | ALA | ||||
| 2 | CYS | ASN | PRO | LYS | ASN | ASP | LYS | CYS | CYS | ALA | ||||
| 3 | ASN | LEU | VAL | CYS | SER | SER | LYS | HIS | LYS | TRP | ||||
| 4 | CYS | LYS | GLY | LYS | LEU |
Samples:
sample_1: Hs1a, [U-98% 13C; U-98% 15N], 0.5 mM; sodium acetate 20 mM; D2O 5%; H2O 95%
sample_conditions_1: ionic strength: 20 mM; pH: 4.9; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 4D HCC(CO)NH TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.1, Bruker Biospin - collection
Rowland_NMR_Toolkit v3, Jeffrey C. Hoch & Alan Stern - processing
XEASY, Bartels et al. - data analysis, peak picking
Talos+, Cornilescu, Delaglio and Bax - data analysis
CYANA v3, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution
NMR spectrometers:
- Bruker Avance 900 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
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