BMRB Entry 15273
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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/BMR15273
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Title: A L-amino acid mutant of a D-amino acid containing conopeptide PubMed: 18355315
Deposition date: 2007-05-31 Original release date: 2008-06-12
Authors: Huang, Feijuan; Du, Weihong; Han, Yuhong; Wang, Chunguang; Chi, Chengwu
Citation: Han, Yuhong; Huang, Feijuan; Jiang, Hui; Liu, Li; Wang, Qi; Wang, Yanfang; Shao, Xiaoxia; Chi, Chengwu; Du, Weihong; Wang, Chunguang. "Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus" FEBS J. 275, 1976-1987 (2008).
Assembly members:
M_cono-toxin, polymer, 15 residues, 1935.080 Da.
Natural source: Common Name: gastropods Taxonomy ID: 42752 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus marmoreus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
M_cono-toxin: DWEYHAHPKXNSFWT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 80 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | conopeptide mr12 mutant | 1 |
Entities:
Entity 1, conopeptide mr12 mutant 15 residues - 1935.080 Da.
| 1 | ASP | TRP | GLU | TYR | HIS | ALA | HIS | PRO | LYS | HYP | ||||
| 2 | ASN | SER | PHE | TRP | THR |
Samples:
sample_1: M cono-toxin mr12 mutant 2.0 mM; H2O 90%; D2O 10%
sample_2: M cono-toxin mr12 mutant 2.0 mM; D2O 100%
sample_conditions_1: pH: 3; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.5, Bruker Biospin - collection
TOPSPIN v1.3B, Bruker Biospin - processing
SPARKY v3.113, Goddard - data analysis
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization
AMBER v9.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement
NMR spectrometers:
- Bruker DRX 600 MHz