BMRB Entry 52460

Name: Chemical shift assignment for the N-terminally acetylated ORF6 C-terminal region from SARS-CoV-2
Published: 2024-10-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52460

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Chemical shift assignment for the N-terminally acetylated ORF6 C-terminal region from SARS-CoV-2

Deposition date:

2024-05-13

Original release date:

2024-10-22

Authors:

Pettitt, Alice; Shukla, Vaibhav; Figueiredo, Angelo; Newton, Lydia; McCarthy, Stephen; Tabor, Alethea; Heller, Gabriella; Lorenz, Chris; Hansen, D Flemming

Citation:

Citation: Pettitt, Alice; Shukla, Vaibhav; Figueiredo, Angelo; Newton, Lydia; McCarthy, Stephen; Tabor, Alethea; Heller, Gabriella; Lorenz, Chris; Hansen, D Flemming. "An integrative characterization of proline cis and trans conformers in a disordered peptide" Biophys. J. ., .-. (2024).
PubMed: 39340152

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, Formula weight is not available

Natural source:

Natural source: Common Name: SARS-CoV-2 Taxonomy ID: 2697049 Superkingdom: Viruses Kingdom: not available Genus/species: Betacoronavirus HCoV-SARS

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SKSLTENKYSQLDEEQPMEI D

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	55
1H chemical shifts	127

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NAc-orf6-ctr	1

Entities:

Entity 1, NAc-orf6-ctr 22 residues - Formula weight is not available

N-terminally acetylated

1

ACE

SER

LYS

SER

LEU

THR

GLU

ASN

LYS

TYR

2

SER

GLN

LEU

ASP

GLU

GLN

PRO

MET

GLU

3

ILE

ASP

Samples:

sample_1: NAc-orf6-ctr 400 uM; HEPES buffer 25 mM; NaCl 150 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.9; pressure: 1 atm; temperature: 288.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v8.7 - processing

SPARKY v3.190 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz