BMRB Entry 50568

Title:
1H and 15N assignments for 14-residues peptide that is cleaved by MPro
Deposition date:
2020-11-11
Original release date:
2021-04-12
Authors:
Bafna, Khushboo; Ramelot, Theresa; Montelione, Gaetano
Citation:

Citation: Bafna, Khushboo; White, Kris; Harish, Balasubramanian; Rosales, Romel; Ramelot, Theresa; Acton, Thomas; Moreno, Elena; Kehrer, Thomas; Miorin, Lisa; Royer, Catherine; Garcia-Sastre, Adolfo; Krug, Robert; Montelione, Gaetano. "Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture"  Cell Reports 35, 109133-109133 (2021).
PubMed: 33984267

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KTSAVLQSGFRKME

Data sets:
Data typeCount
15N chemical shifts13
1H chemical shifts15

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
114-residue peptide1

Entities:

Entity 1, 14-residue peptide 14 residues - Formula weight is not available

1   LYSTHRSERALAVALLEUGLNSERGLYPHE
2   ARGLYSMETGLU

Samples:

sample_1: peptide-uncleaved 1 ± 0.1 mM; HEPES 20 ± 1 mM; sodium chloride 100 ± 5 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v1.6.2 - collection, data analysis, integration, peak picking, processing

NMRFAM-SPARKY v1.470 - chemical shift assignment, data analysis, peak picking

NMRPipe v9.9 - processing

NMR spectrometers:

  • Bruker Avance II 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks