BMRB Entry 26504
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26504
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Citation: Saez, Natalie; Mobli, Mehdi; Bieri, Michael; Chassagnon, Irene; Malde, Alpeshkumar; Gamsjaeger, Roland; Mark, Alan; Gooley, Paul; Rash, Lachlan; King, Glenn. "A Dynamic Pharmacophore Drives the Interaction between Psalmotoxin-1 and the Putative Drug Target Acid-Sensing Ion Channel 1a" Mol. Pharmacol. 80, 796-808 (2011).
PubMed: 21825095
Assembly members:
TRTX-Pc1a, polymer, 40 residues, Formula weight is not available
Natural source: Common Name: Trinidad chevron tarantula Taxonomy ID: 179874 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Psalmopoeus cambridgei
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21(DE3)
Entity Sequences (FASTA):
TRTX-Pc1a: EDCIPKWKGCVNRHGDCCEG
LECWKRRRSFEVCVPKTPKT
- order_parameters
| Data type | Count |
| order parameters | 31 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TRTX-Pc1a | 1 |
Entities:
Entity 1, TRTX-Pc1a 40 residues - Formula weight is not available
| 1 | GLU | ASP | CYS | ILE | PRO | LYS | TRP | LYS | GLY | CYS | |
| 2 | VAL | ASN | ARG | HIS | GLY | ASP | CYS | CYS | GLU | GLY | |
| 3 | LEU | GLU | CYS | TRP | LYS | ARG | ARG | ARG | SER | PHE | |
| 4 | GLU | VAL | CYS | VAL | PRO | LYS | THR | PRO | LYS | THR |
Samples:
sample_1: TRTX-Pc1a, [U-100% 13C; U-100% 15N], 450 uM; H2O 90%; D2O 10%
sample_conditions_1: temperature: 298 K; pH: 6.0; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CC)(CO)NH- TOCSY | sample_1 | isotropic | sample_conditions_1 |
| (H)CC(CO)NH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| HCC(CO)NH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
NESSY, Rowden White - Data fitting, Model selection, Model simulation
relaxGUI, Bieri et al, 2011 - Model-free analysis
HADDOCK, Alexandre Bonvin - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz