BMRB Entry 25653
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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/BMR25653
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Title: SOLUTION NMR STRUCTURE OF ASTEROPSIN G FROM MARINE SPONGE ASTEROPUS PubMed: 27189887
Deposition date: 2015-06-09 Original release date: 2016-06-06
Authors: Su, Mingzhi; Jung, Jee
Citation: Su, Mingzhi; Li, Huayue; Wang, Haibo; Kim, Eun La; Kim, Hyung Sik; Kim, Eun-Hee; Lee, Jaewon; Jung, Jee. "Stable and non-cytotoxic cystine knot peptides from a marine sponge asteropus" Bioorg Med Chem. 24, 2979-2987 (2016).
Assembly members:
Asteropsin_G, polymer, 32 residues, 3524.975 Da.
Natural source: Common Name: sponges Taxonomy ID: 350938 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: not available not available
Experimental source: Production method: purified from the natural source Host organism: Asteropus
Entity Sequences (FASTA):
Asteropsin_G: XWCAEEGESCEVYPCCDGLI
CYPTFPEPICGV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 107 |
| 1H chemical shifts | 200 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Asteropsin_G | 1 |
Entities:
Entity 1, Asteropsin_G 32 residues - 3524.975 Da.
| 1 | PCA | TRP | CYS | ALA | GLU | GLU | GLY | GLU | SER | CYS | ||||
| 2 | GLU | VAL | TYR | PRO | CYS | CYS | ASP | GLY | LEU | ILE | ||||
| 3 | CYS | TYR | PRO | THR | PHE | PRO | GLU | PRO | ILE | CYS | ||||
| 4 | GLY | VAL |
Samples:
sample_1: Asteropsin G 10 mM; DMSO 100%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 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 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - processing
SPARKY, Goddard - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - processing
NMR spectrometers:
- Varian INOVA 600 MHz