BMRB Entry 16094
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16094
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Title: solution structure of anntoxin PubMed: 19535333
Deposition date: 2008-12-29 Original release date: 2009-06-26
Authors: Hong, Jing; You, Dewen; Lai, Ren; Lin, Donghai
Citation: You, Dewen; Hong, Jing; Rong, Mingqiang; Yu, Haining; Liang, Songping; Ma, Yufang; Yang, Hailong; Wu, Jing; Lin, Donghai; Lai, Ren. "The first gene-encoded amphibian neurotoxin." J. Biol. Chem. 284, 22079-22086 (2009).
Assembly members:
anntoxin, polymer, 61 residues, 6834.479 Da.
Natural source: Common Name: Assam treefrog Taxonomy ID: 317325 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hyla annectans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
anntoxin: PAQDYRCQLSRNYGKGSGSF
TNYYYDKATSSCKTFRYRGS
GGNGNRFKTLEDCEATCVTA
E
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 336 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | anntoxin | 1 |
Entities:
Entity 1, anntoxin 61 residues - 6834.479 Da.
| 1 | PRO | ALA | GLN | ASP | TYR | ARG | CYS | GLN | LEU | SER | ||||
| 2 | ARG | ASN | TYR | GLY | LYS | GLY | SER | GLY | SER | PHE | ||||
| 3 | THR | ASN | TYR | TYR | TYR | ASP | LYS | ALA | THR | SER | ||||
| 4 | SER | CYS | LYS | THR | PHE | ARG | TYR | ARG | GLY | SER | ||||
| 5 | GLY | GLY | ASN | GLY | ASN | ARG | PHE | LYS | THR | LEU | ||||
| 6 | GLU | ASP | CYS | GLU | ALA | THR | CYS | VAL | THR | ALA | ||||
| 7 | GLU |
Samples:
sample_1: entity 2 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: entity 2 mM; D2O, [U-2H], 100%
sample_conditions_1: ionic strength: 0 M; pH: 6.5; pressure: 1.0 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O, . - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Varian INOVA 600 MHz