BMRB Entry 30009
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30009
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Resonance assignments and NMR structure determination of tarantula toxin, F8A mutant of beta-TRTX-Pre1a
Deposition date: 2016-02-07 Original release date: 2017-02-03
Authors: Chin, Y.K.-Y.; Wingerd, J.; Mobli, M.; Rash, L.
Citation: Chin, Y.K.-Y.; Wingerd, J.; Mobli, M.; Rash, L.. "Resonance assignments and NMR structure determination of tarantula toxin, mu-TRTX-Pre1a" . ., .-..
Assembly members:
entity_1, polymer, 36 residues, 4253.925 Da.
Natural source: Common Name: spiders Taxonomy ID: 179873 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Psalmopoeus not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SEDCLGWASRCSPKNDKCCP
NYKCSSKDLWCKYKIW
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 161 |
| 15N chemical shifts | 38 |
| 1H chemical shifts | 242 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 36 residues - 4253.925 Da.
| 1 | SER | GLU | ASP | CYS | LEU | GLY | TRP | ALA | SER | ARG | ||||
| 2 | CYS | SER | PRO | LYS | ASN | ASP | LYS | CYS | CYS | PRO | ||||
| 3 | ASN | TYR | LYS | CYS | SER | SER | LYS | ASP | LEU | TRP | ||||
| 4 | CYS | LYS | TYR | LYS | ILE | TRP |
Samples:
sample_1: D2O 5%; mu-TRTX-Pre1a, [U-99% 13C; U-99% 15N], 300 uM; sodium phosphate 10 mM
sample_conditions_1: ionic strength: 10 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | 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 HCCH TOCSY | 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 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Rowland NMR Toolkit, Jeff Hoch - processing
TOPSPIN, Bruker Biospin - collection
Analysis, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AvanceII 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts