BMRB Entry 18300
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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/BMR18300
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Title: Solution NMR structure of asteropusin A from marine sponge Asteropus sp. PubMed: 23201194
Deposition date: 2012-02-28 Original release date: 2013-02-05
Authors: Li, Huayue; Bowling, John; Hamann, Mark; Jung, Jee
Citation: Li, Huayue; Bowling, John; Fronczek, Frank; Hong, Jongki; Jabbae, Sairam; Murray, Thomas; Haa, Nam-Chul; Hamann, Mark; Jung, Jee. "A New Knottin from a Marine Sponge Which Enhances Neuronal Ca2+ Influx" Biochim. Biophys. Acta 1830, 2591-2599 (2012).
Assembly members:
Asteropusin_A, polymer, 37 residues, 3904.393 Da.
Natural source: Common Name: sponges Taxonomy ID: 350938 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Asteropus sp.
Experimental source: Production method: purified from the natural source Host organism: Asteropus sp.
Entity Sequences (FASTA):
Asteropusin_A: XGCAFEGESCNVQFYPCCPG
LGLTCIPGNPDGTCYYL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 118 |
| 1H chemical shifts | 228 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Asteropusin_A | 1 |
Entities:
Entity 1, Asteropusin_A 37 residues - 3904.393 Da.
| 1 | PCA | GLY | CYS | ALA | PHE | GLU | GLY | GLU | SER | CYS | ||||
| 2 | ASN | VAL | GLN | PHE | TYR | PRO | CYS | CYS | PRO | GLY | ||||
| 3 | LEU | GLY | LEU | THR | CYS | ILE | PRO | GLY | ASN | PRO | ||||
| 4 | ASP | GLY | THR | CYS | TYR | TYR | LEU |
Samples:
ABU8-1: methanol 10 mM
ABU8-1_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | ABU8-1 | isotropic | ABU8-1_conditions_1 |
| 2D 1H-1H TOCSY | ABU8-1 | isotropic | ABU8-1_conditions_1 |
| 2D DQF-COSY | ABU8-1 | isotropic | ABU8-1_conditions_1 |
| 2D 1H-13C HSQC aliphatic | ABU8-1 | isotropic | ABU8-1_conditions_1 |
| 2D 1H-13C HSQC aromatic | ABU8-1 | isotropic | ABU8-1_conditions_1 |
Software:
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 500 MHz