BMRB Entry 25254
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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/BMR25254
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Title: Solution structure of the toxin, RhTx
Deposition date: 2014-09-30 Original release date: 2015-10-12
Authors: Hong, Jing; Yang, Shilong
Citation: Hong, Jing; Yang, Shilong. "1H assigned chemical shifts for RhTx" Not known ., .-..
Assembly members:
entity, polymer, 27 residues, 2974.468 Da.
Natural source: Common Name: centipede Taxonomy ID: 55038 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Scolopendra subspinipes
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
entity: LNNPCNGVTCPSGYRCSIVD
KQCIKKE
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 161 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 27 residues - 2974.468 Da.
| 1 | LEU | ASN | ASN | PRO | CYS | ASN | GLY | VAL | THR | CYS | ||||
| 2 | PRO | SER | GLY | TYR | ARG | CYS | SER | ILE | VAL | ASP | ||||
| 3 | LYS | GLN | CYS | ILE | LYS | LYS | GLU |
Samples:
sample_1: entity 3 mM; H2O 90%; D2O 10%; phospate buffer 20 mM; NaCl 50 mM
sample_conditions_1: ionic strength: 0.025 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
SPARKY, Goddard - peak picking
ProcheckNMR, Laskowski and MacArthur - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz