BMRB Entry 25419
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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/BMR25419
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Title: NMR solution structure of -TRTX-Tp1a from the tarantula Thrixopelma pruriens PubMed: 25979003
Deposition date: 2015-01-08 Original release date: 2015-06-01
Authors: Rosengren, K. Johan
Citation: Cardoso, Fernanda; Dekan, Zoltan; Rosengren, K. Johan; Erickson, Andelain; Vetter, Irina; Deuis, Jennifer; Herzig, Volker; Alewood, Paul; King, Glenn; Lewis, Richard. "Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], A New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma Pruriens" Mol. Pharmacol. 88, 291-303 (2015).
Assembly members:
entity, polymer, 33 residues, 3817.504 Da.
Natural source: Common Name: green velvet Taxonomy ID: 213387 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Thrixopelma pruriens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: DCLKFGWKCNPRNDKCCSGL
KCGSNHNWCKLHL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 225 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 33 residues - 3817.504 Da.
| 1 | ASP | CYS | LEU | LYS | PHE | GLY | TRP | LYS | CYS | ASN | ||||
| 2 | PRO | ARG | ASN | ASP | LYS | CYS | CYS | SER | GLY | LEU | ||||
| 3 | LYS | CYS | GLY | SER | ASN | HIS | ASN | TRP | CYS | LYS | ||||
| 4 | LEU | HIS | LEU |
Samples:
sample_1: entity 0.4 mg/mL
sample_conditions_1: ionic strength: 0 M; pH: 3.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - data analysis, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz