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
MolProbity Validation Chart

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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:

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:

Assembly members:
Peptide P9R, polymer, 30 residues, 3418.084 Da.

Natural source:

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Peptide P9R: NGAICWGPCPTAFRQIGNCG RFRVRCCRIR

Data typeCount
1H chemical shifts205

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 30 residues - 3418.084 Da.

1   ASNGLYALAILECYSTRPGLYPROCYSPRO
2   THRALAPHEARGGLNILEGLYASNCYSGLY
3   ARGPHEARGVALARGCYSCYSARGILEARG

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:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_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