BMRB Entry 19813
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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/BMR19813
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Title: Solution structure of BmKTX-D19K/K6D
Deposition date: 2014-02-24 Original release date: 2015-02-23
Authors: Hong, Jing; Lin, Donghai; Chen, Zongyun; Wu, Yingliang
Citation: Hong, Jing; Lin, Donghai; Chen, Zongyun; Wu, Yingliang. "Solution structure of BmKTX-D19K/K6D" Not known ., .-..
Assembly members:
entity, polymer, 37 residues, 3977.839 Da.
Natural source: Common Name: Manchurian scorpion Taxonomy ID: 34649 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesobuthus martensii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: VGINVDCKHSGQCLKPCKKA
GMRFGKCINGKCDCTPK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 240 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 37 residues - 3977.839 Da.
| 1 | VAL | GLY | ILE | ASN | VAL | ASP | CYS | LYS | HIS | SER | ||||
| 2 | GLY | GLN | CYS | LEU | LYS | PRO | CYS | LYS | LYS | ALA | ||||
| 3 | GLY | MET | ARG | PHE | GLY | LYS | CYS | ILE | ASN | GLY | ||||
| 4 | LYS | CYS | ASP | CYS | THR | PRO | LYS |
Samples:
sample_1: entity 2 mM; D2O, [U-99% 2H], 10%; H2O 90%; potassium phosphate 25 mM
sample_conditions_1: ionic strength: 0.025 M; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O, . - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
SPARKY, Goddard - peak picking
ProcheckNMR, Laskowski and MacArthur - data analysis
NMR spectrometers:
- Bruker AMX 600 MHz