BMRB Entry 36321
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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/BMR36321
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Title: Solution NMR Structure of Peptide P9R
Deposition date: 2020-03-10 Original release date: 2020-09-07
Authors: Yuen, K.; Zhao, H.; Yung, T.; Sze, K.
Citation: Yuen, K.; Zhao, H.; Yung, T.; Sze, K.. "Broad antiviral peptide targeting virus and host against 2019 coronavirus and others Broad antiviral peptide targeting virus and host against endosomal viruses" .
Assembly members:
Peptide P9R, polymer, 30 residues, 3418.084 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Peptide P9R: NGAICWGPCPTAFRQIGNCG
RFRVRCCRIR
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 205 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 30 residues - 3418.084 Da.
| 1 | ASN | GLY | ALA | ILE | CYS | TRP | GLY | PRO | CYS | PRO | |
| 2 | THR | ALA | PHE | ARG | GLN | ILE | GLY | ASN | CYS | GLY | |
| 3 | ARG | PHE | ARG | VAL | ARG | CYS | CYS | ARG | ILE | ARG |
Samples:
sample_1: P9R 1 mg/mL; H2O 95%; D2O, [U-2H], 5%
sample_2: P9R 1 mg/mL; D2O, [U-2H], 100%
sample_conditions_1: ionic strength: 0 Not defined; pH: 7; pressure: 1 atm; temperature: 298.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
ARIA v2.3, Linge, O'Donoghue and Nilges - structure calculation
CNS v1.21, Brunger A. T. et.al. - refinement
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment
DANGLE v1.1, Nicole Cheung, Tim Stevens, Bill Broadhurst - structure calculation
TopSpin v4.0.6, Bruker Biospin - collection
NMR spectrometers:
- Bruker AVANCE III 700 MHz