BMRB Entry 25598
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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/BMR25598
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Title: SOLUTION NMR STRUCTURE OF ASTEROPSIN F FROM MARINE SPONGE ASTEROPUS PubMed: 27189887
Deposition date: 2015-05-07 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_F, polymer, 33 residues, 3548.054 Da.
Natural source: Common Name: Asteropus Taxonomy ID: 350938 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Asteropus not available
Experimental source: Production method: purified from the natural source Host organism: Asteropus
Entity Sequences (FASTA):
Asteropsin_F: CPGEGEECDVEFNPCCPPLT
CIPGDPYGICYII
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 96 |
| 1H chemical shifts | 210 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ASTEROPSIN F | 1 |
Entities:
Entity 1, ASTEROPSIN F 33 residues - 3548.054 Da.
| 1 | CYS | PRO | GLY | GLU | GLY | GLU | GLU | CYS | ASP | VAL | ||||
| 2 | GLU | PHE | ASN | PRO | CYS | CYS | PRO | PRO | LEU | THR | ||||
| 3 | CYS | ILE | PRO | GLY | ASP | PRO | TYR | GLY | ILE | CYS | ||||
| 4 | TYR | ILE | ILE |
Samples:
sample_1: Asteropsin F 10 mg/mL
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - processing
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker BioSpin GmbH 900 MHz