BMRB Entry 18354
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/BMR18354
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 NMR structure of the rho-conotoxin TIA. PubMed: 23184947
Deposition date: 2012-03-27 Original release date: 2012-04-30
Authors: Rosengren, K. Johan; Lewis, Richard
Citation: Ragnarsson, Lotten; Wang, Ching-I Anderson; Andersson, Asa; Fajarningsih, Dewi; Monks, Thea; Brust, Andreas; Rosengren, K. Johan; Lewis, Richard. "Conopeptide -TIA defines a new allosteric site on the extracellular surface of the 1B-adrenoceptor." J. Biol. Chem. 288, 1814-1827 (2013).
Assembly members:
conotoxin_TIA, polymer, 19 residues, 2401.951 Da.
Natural source: Common Name: tulip cone Taxonomy ID: 6495 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus tulipa
Experimental source: Production method: chemical synthesis Host organism: not applicable
Entity Sequences (FASTA):
conotoxin_TIA: FNWRCCLIPACRRNHKKFC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 141 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | conotoxin_TIA | 1 |
Entities:
Entity 1, conotoxin_TIA 19 residues - 2401.951 Da.
| 1 | PHE | ASN | TRP | ARG | CYS | CYS | LEU | ILE | PRO | ALA | ||||
| 2 | CYS | ARG | ARG | ASN | HIS | LYS | LYS | PHE | CYS |
Samples:
sample_1: conotoxin TIA 1 mg/ml; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
XEASY, Bartels et al. - data analysis, peak picking
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 600 MHz