BMRB Entry 18784
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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/BMR18784
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Title: SOLUTION NMR STRUCTURE OF ASTEROPSIN C FROM A MARINE SPONGE ASTEROPUS SP. PubMed: 23225198
Deposition date: 2012-10-12 Original release date: 2013-10-21
Authors: Li, Huayue; Bowling, John; Hamann, Mark; Jung, Jee
Citation: Temel, Deniz; Dutta, Kaushik; Ghose, Ranajeet. "Sequence-specific backbone (1)H, (13)C and (15)N assignments of the catalytic domain of the Escherichia coli protein tyrosine kinase, Wzc." Biomol. NMR Assignments ., .-. (2012).
Assembly members:
ABU8-3, polymer, 35 residues, 3773.257 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
Entity Sequences (FASTA):
ABU8-3: XDCPGEGEQCDVEFNPCCPP
LTCIPGDPYGICYII
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 114 |
| 1H chemical shifts | 222 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ABU8-3 | 1 |
Entities:
Entity 1, ABU8-3 35 residues - 3773.257 Da.
| 1 | PCA | ASP | CYS | PRO | GLY | GLU | GLY | GLU | GLN | CYS | ||||
| 2 | ASP | VAL | GLU | PHE | ASN | PRO | CYS | CYS | PRO | PRO | ||||
| 3 | LEU | THR | CYS | ILE | PRO | GLY | ASP | PRO | TYR | GLY | ||||
| 4 | ILE | CYS | TYR | ILE | ILE |
Samples:
sample_1: ABU8-3 10 mM; CD3OH 100%
ABU8-3_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | ABU8-3_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | ABU8-3_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | ABU8-3_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | ABU8-3_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | ABU8-3_conditions_1 |
Software:
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Varian INOVA 900 MHz
- Varian INOVA 500 MHz