BMRB Entry 36439
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36439
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Fan, J.; Tang, F.; Loo, S.; Kam, A.; Tam, J.. "Solution structure of a Cysteine rich peptide from Withania somnifera (Indian ginseng)" .
Assembly members:
Wisotide, polymer, 31 residues, 3394.834 Da.
Natural source: Common Name: ashwagandha Taxonomy ID: 126910 Superkingdom: not available Kingdom: Viridiplantae Genus/species: Withania somnifera
Experimental source: Not available
Entity Sequences (FASTA):
Wisotide: ADCTEYCSNSCPFCNGQPLY
QLCCINNCCPS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 172 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 31 residues - 3394.834 Da.
| 1 | ALA | ASP | CYS | THR | GLU | TYR | CYS | SER | ASN | SER | ||||
| 2 | CYS | PRO | PHE | CYS | ASN | GLY | GLN | PRO | LEU | TYR | ||||
| 3 | GLN | LEU | CYS | CYS | ILE | ASN | ASN | CYS | CYS | PRO | ||||
| 4 | SER |
Samples:
sample_1: peptide 1 ± 0.1 mM; H2O 95%; D2O, [U-2H], 5%
sample_conditions_1: ionic strength: 0 Not defined; pH: 4; 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 NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
NMRFAM-SPARKY, Lee W, Tonelli M, Markley JL - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE 800 MHz