BMRB Entry 15272
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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/BMR15272
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Title: The NMR solution structure of a pH sensitive,D-amino acid containing conopeptide, mr12 . 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:
mr12_at_pH5, polymer, 15 residues, 1935.080 Da.
Natural source: Common Name: Conus marmoreus Taxonomy ID: 42752 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus marmoreus
Experimental source: Production method: chemical synthesis Host organism: Conus marmoreus
Entity Sequences (FASTA):
mr12_at_pH5: DWEYHAHPKXNSXWT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chain A | 1 |
Entities:
Entity 1, chain A 15 residues - 1935.080 Da.
| 1 | ASP | TRP | GLU | TYR | HIS | ALA | HIS | PRO | LYS | HYP | ||||
| 2 | ASN | SER | DPN | TRP | THR |
Samples:
sample_1: mr12 at pH5 2.0 mM; potassium phosphate 20 mM; H2O 90%; D2O 10%
sample_2: mr12 at pH5 2.0 mM; potassium phosphate 20 mM; D2O 100%
sample_conditions_1: ionic strength: 20 mM; pH: 5; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.5, Bruker Biospin - collection
TOPSPIN v1.3, 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