BMRB Entry 15195
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15195
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Du, W.; Han, Y.; Huang, F.; Li, J.; Chi, C.; Fang, W.. "Solution Structure of an M-1 Conotoxin with a novel disulfide linkage" FEBS J. 274, 2596-2602 (2007).
PubMed: 17437523
Assembly members:
M_conotoxin_Mr3.4, polymer, 16 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 42752 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus marnoreus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
M_conotoxin_Mr3.4: VCCPFGGCHELCYCCD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chain A | 1 |
Entities:
Entity 1, chain A 16 residues - Formula weight is not available
| 1 | VAL | CYS | CYS | PRO | PHE | GLY | GLY | CYS | HIS | GLU | ||||
| 2 | LEU | CYS | TYR | CYS | CYS | ASP |
Samples:
sample_1: Mr3e 2.0 mM; TFA 0.01%
sample_2: Mr3e 2.0 mM; TFA 0.01%
sample_conditions_1: pH: 3.0; pressure: 1 atm; temperature: 294 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_2 | isotropic | sample_conditions_1 |
| DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.5, Bruker Inc. - collection
TOPSPIN v1.3B, Bruker Inc. - processing
SPARKY v3.113, Donald Kneller,Tack kuntz,Tom Forrin,Tom Goddard - data analysis
DYANA v1.5, Peter Guntert,Christian Mumenthaler and Torsten Herrmann - structure solution
AMBER v5.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement
NMR spectrometers:
- Bruker AVANCE 500 MHz