BMRB Entry 18019
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18019
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: High-resolution solution structure of the orally active insecticidal spider venom peptide U1-TRTX-Sp1a
Deposition date: 2011-10-24 Original release date: 2012-10-22
Authors: Hardy, Margaret; Daly, Norelle; Mobli, Mehdi
Citation: Hardy, Margaret; Daly, Norelle; Mobli, Mehdi; King, Glenn. "High-resolution solution structure of the orally active insecticidal spider venom peptide U1-TRTX-Sp1a" Not known ., .-..
Assembly members:
U1-TRTX-Sp1a, polymer, 33 residues, 3732.358 Da.
Natural source: Common Name: Australian Featherleg Taxonomy ID: not available Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Selenotypus plumipes
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
U1-TRTX-Sp1a: DCGHLHDPCPNDRPGHRTCC
IGLQCRYGKCLVR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 56 |
| 15N chemical shifts | 26 |
| 1H chemical shifts | 208 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | U1-TRTX-Sp1a | 1 |
Entities:
Entity 1, U1-TRTX-Sp1a 33 residues - 3732.358 Da.
| 1 | ASP | CYS | GLY | HIS | LEU | HIS | ASP | PRO | CYS | PRO | ||||
| 2 | ASN | ASP | ARG | PRO | GLY | HIS | ARG | THR | CYS | CYS | ||||
| 3 | ILE | GLY | LEU | GLN | CYS | ARG | TYR | GLY | LYS | CYS | ||||
| 4 | LEU | VAL | ARG |
Samples:
sample_1: U1-TRTX-Sp1a 700 uM; potassium phosphate 10 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 5.85; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
CcpNMR, CCPN - chemical shift assignment, data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
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