BMRB Entry 36205
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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/BMR36205
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Bhattacharjya, S.; Sinha, S.. "Thanatin M21F in presence of DPC" .
Assembly members:
Thanatin, polymer, 21 residues, 2457.962 Da.
Natural source: Common Name: Spined soldier bug Taxonomy ID: 29025 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Podisus maculiventris
Experimental source: Production method: chemical synthesis Host organism: unidentified
Entity Sequences (FASTA):
Thanatin: GSKKPVPIIYCNRRTGKCQR
F
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 37 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2457.962 Da.
| 1 | GLY | SER | LYS | LYS | PRO | VAL | PRO | ILE | ILE | TYR | ||||
| 2 | CYS | ASN | ARG | ARG | THR | GLY | LYS | CYS | GLN | ARG | ||||
| 3 | PHE |
Samples:
sample_1: ThanatinM21F, 1H, 0.3 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 125 mM; pH: 5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
Sparky, Goddard - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Bruker DRX 600 MHz