BMRB Entry 25804
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25804
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Title: muO-conotoxin MfVIA PubMed: 27026701
Deposition date: 2015-09-09 Original release date: 2016-04-04
Authors: Schroeder, Christina; Mobli, Mehdi
Citation: Deuis, Jennifer; Henriques, Sonia; Dekan, Zoltan; Inserra, Marco; Craik, David; Lewis, Richard; Alewood, Paul; Mobli, Mehdi; Schroeder, Christina; Vetter, Irina. "Development of a muO-conotoxin Analogue with Improved Lipid Membrane Interactions and Potency for the Analgesic Target NaV1.8" J. Biol. Chem. 291, 11829-11842 (2016).
Assembly members:
entity, polymer, 32 residues, 3656.417 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: RDCQEKWEYCIVPILGFVYC
CPGLICGPFVCV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 98 |
| 15N chemical shifts | 22 |
| 1H chemical shifts | 221 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 32 residues - 3656.417 Da.
| 1 | ARG | ASP | CYS | GLN | GLU | LYS | TRP | GLU | TYR | CYS | ||||
| 2 | ILE | VAL | PRO | ILE | LEU | GLY | PHE | VAL | TYR | CYS | ||||
| 3 | CYS | PRO | GLY | LEU | ILE | CYS | GLY | PRO | PHE | VAL | ||||
| 4 | CYS | VAL |
Samples:
sample_1: MfVIA 10 mM; H2O 70%; CD3CN 30%
sample_conditions_1: 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 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C HSQC-NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, chemical shift calculation, peak picking, structure solution
TOPSPIN, Bruker Biospin - collection, processing
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
XEASY, Bartels et al. - chemical shift assignment, chemical shift calculation, peak picking, structure solution
Molmol, Koradi, Billeter and Wuthrich - data analysis
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