BMRB Entry 25516
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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/BMR25516
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Title: Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1
Deposition date: 2015-03-04 Original release date: 2016-04-12
Authors: Yu, Rilei; Seymour, Victoria; Berecki, G za; Jia, Xinying; Akcan, Muharrem; Adams, David; Kaas, Quentin; Craik, David
Citation: Yu, Rilei; Seymour, Victoria; Berecki, G za; Jia, Xinying; Akcan, Muharrem; Adams, David; Kaas, Quentin; Craik, David. "Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1" Proc. Natl. Acad. Sci. U.S.A. ., .-..
Assembly members:
entity, polymer, 22 residues, 2263.418 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: GHCSDPRFNYDHPEICGGAA
GG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 13 |
| 1H chemical shifts | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 22 residues - 2263.418 Da.
| 1 | GLY | HIS | CYS | SER | ASP | PRO | ARG | PHE | ASN | TYR | ||||
| 2 | ASP | HIS | PRO | GLU | ILE | CYS | GLY | GLY | ALA | ALA | ||||
| 3 | GLY | GLY |
Samples:
sample_1: cVc 1.1 mutant 1.7 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 280 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:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
TOPSPIN, Bruker Biospin - collection, processing
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz