BMRB Entry 52459

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

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52459

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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 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, 21 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: recombinant technology Host organism: Escherichia coli Vector: pGEX-6P-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SKSLTENKYSQLDEEQPMEI D

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	102
15N chemical shifts	24
1H chemical shifts	147

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	orf6-ctr, trans form	1
2	orf6-ctr, cis form	1

Entities:

Entity 1, orf6-ctr, trans form 21 residues - Formula weight is not available

1

SER

LYS

SER

LEU

THR

GLU

ASN

LYS

TYR

SER

2

GLN

LEU

ASP

GLU

GLN

PRO

MET

GLU

ILE

3

ASP

Samples:

sample_1: orf6-ctr, [U-100% 15N], 300 uM; orf6-ctr, [U-100% 13C; U-100% 15N], 300 uM; HEPES buffer 25 mM; NaCl 150 mM; sodium azide 1 mM; EDTA 1 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
3D HNCO	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D CCCONH	sample_1	isotropic	sample_conditions_1
2D CON	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v8.7 - processing

SPARKY v3.190 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

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