BMRB Entry 50915

Name: WT nsp1
Published: 2021-11-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50915

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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:

WT nsp1

Deposition date:

2021-04-28

Original release date:

2021-11-04

Authors:

Agback, Tatiana; Dominguez, Francisco; Frolov, Ilya; Frolova, Elena; Agback, Peter

Citation:

Citation: Agback, Tatiana; Dominguez, Francisco; Frolov, Ilya; Frolova, Elena; Agback, Peter. "1H, 13C and 15N resonance assignment of the SARS-CoV-2 full-length nsp1 protein and its mutants reveals its unique secondary structure features in solution" PLoS One 16, e0251834-e0251834 (2021).
PubMed: 34874953

Assembly members:

Assembly members:
entity_1, polymer, 180 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: pE-SUMOpro-3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MESLVPGFNEKTHVQLSLPV LQVRDVLVRGFGDSVEEVLS EARQHLKDGTCGLVEVEKGV LPQLEQPYVFIKRSDARTAP HGHVMVELVAELEGIQYGRS GETLGVLVPHVGEIPVAYRK VLLRKNGNKGAGGHSYGADL KSFDLGDELGTDPYEDFQEN WNTKHSSGVTRELMRELNGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	909
15N chemical shifts	322
1H chemical shifts	619

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	nsp1	1

Entities:

Entity 1, nsp1 180 residues - Formula weight is not available

1	MET	GLU	SER	LEU	VAL	PRO	GLY	PHE	ASN	GLU
2	LYS	THR	HIS	VAL	GLN	LEU	SER	LEU	PRO	VAL
3	LEU	GLN	VAL	ARG	ASP	VAL	LEU	VAL	ARG	GLY
4	PHE	GLY	ASP	SER	VAL	GLU	GLU	VAL	LEU	SER
5	GLU	ALA	ARG	GLN	HIS	LEU	LYS	ASP	GLY	THR
6	CYS	GLY	LEU	VAL	GLU	VAL	GLU	LYS	GLY	VAL
7	LEU	PRO	GLN	LEU	GLU	GLN	PRO	TYR	VAL	PHE
8	ILE	LYS	ARG	SER	ASP	ALA	ARG	THR	ALA	PRO
9	HIS	GLY	HIS	VAL	MET	VAL	GLU	LEU	VAL	ALA
10	GLU	LEU	GLU	GLY	ILE	GLN	TYR	GLY	ARG	SER
11	GLY	GLU	THR	LEU	GLY	VAL	LEU	VAL	PRO	HIS
12	VAL	GLY	GLU	ILE	PRO	VAL	ALA	TYR	ARG	LYS
13	VAL	LEU	LEU	ARG	LYS	ASN	GLY	ASN	LYS	GLY
14	ALA	GLY	GLY	HIS	SER	TYR	GLY	ALA	ASP	LEU
15	LYS	SER	PHE	ASP	LEU	GLY	ASP	GLU	LEU	GLY
16	THR	ASP	PRO	TYR	GLU	ASP	PHE	GLN	GLU	ASN
17	TRP	ASN	THR	LYS	HIS	SER	SER	GLY	VAL	THR
18	ARG	GLU	LEU	MET	ARG	GLU	LEU	ASN	GLY	GLY

Samples:

sample_1: wt nsp1, [U-100% 13C; U-100% 15N], 0.4 mM; KCl 100 mM; NaN3 1 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 0.101 M; pH: 7.5; pressure: 1 atm; temperature: 308 K

sample_conditions_2: ionic strength: 0.101 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.5 - collection

NMR spectrometers:

Bruker AVANCE III 600 MHz

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

1	MET	GLU	SER	LEU	VAL	PRO	GLY	PHE	ASN	GLU
2	LYS	THR	HIS	VAL	GLN	LEU	SER	LEU	PRO	VAL
3	LEU	GLN	VAL	ARG	ASP	VAL	LEU	VAL	ARG	GLY
4	PHE	GLY	ASP	SER	VAL	GLU	GLU	VAL	LEU	SER
5	GLU	ALA	ARG	GLN	HIS	LEU	LYS	ASP	GLY	THR
6	CYS	GLY	LEU	VAL	GLU	VAL	GLU	LYS	GLY	VAL
7	LEU	PRO	GLN	LEU	GLU	GLN	PRO	TYR	VAL	PHE
8	ILE	LYS	ARG	SER	ASP	ALA	ARG	THR	ALA	PRO
9	HIS	GLY	HIS	VAL	MET	VAL	GLU	LEU	VAL	ALA
10	GLU	LEU	GLU	GLY	ILE	GLN	TYR	GLY	ARG	SER
11	GLY	GLU	THR	LEU	GLY	VAL	LEU	VAL	PRO	HIS
12	VAL	GLY	GLU	ILE	PRO	VAL	ALA	TYR	ARG	LYS
13	VAL	LEU	LEU	ARG	LYS	ASN	GLY	ASN	LYS	GLY
14	ALA	GLY	GLY	HIS	SER	TYR	GLY	ALA	ASP	LEU
15	LYS	SER	PHE	ASP	LEU	GLY	ASP	GLU	LEU	GLY
16	THR	ASP	PRO	TYR	GLU	ASP	PHE	GLN	GLU	ASN
17	TRP	ASN	THR	LYS	HIS	SER	SER	GLY	VAL	THR
18	ARG	GLU	LEU	MET	ARG	GLU	LEU	ASN	GLY	GLY

1	MET	GLU	SER	LEU	VAL	PRO	GLY	PHE	ASN	GLU
2	LYS	THR	HIS	VAL	GLN	LEU	SER	LEU	PRO	VAL
3	LEU	GLN	VAL	ARG	ASP	VAL	LEU	VAL	ARG	GLY
4	PHE	GLY	ASP	SER	VAL	GLU	GLU	VAL	LEU	SER
5	GLU	ALA	ARG	GLN	HIS	LEU	LYS	ASP	GLY	THR
6	CYS	GLY	LEU	VAL	GLU	VAL	GLU	LYS	GLY	VAL
7	LEU	PRO	GLN	LEU	GLU	GLN	PRO	TYR	VAL	PHE
8	ILE	LYS	ARG	SER	ASP	ALA	ARG	THR	ALA	PRO
9	HIS	GLY	HIS	VAL	MET	VAL	GLU	LEU	VAL	ALA
10	GLU	LEU	GLU	GLY	ILE	GLN	TYR	GLY	ARG	SER
11	GLY	GLU	THR	LEU	GLY	VAL	LEU	VAL	PRO	HIS
12	VAL	GLY	GLU	ILE	PRO	VAL	ALA	TYR	ARG	LYS
13	VAL	LEU	LEU	ARG	LYS	ASN	GLY	ASN	LYS	GLY
14	ALA	GLY	GLY	HIS	SER	TYR	GLY	ALA	ASP	LEU
15	LYS	SER	PHE	ASP	LEU	GLY	ASP	GLU	LEU	GLY
16	THR	ASP	PRO	TYR	GLU	ASP	PHE	GLN	GLU	ASN
17	TRP	ASN	THR	LYS	HIS	SER	SER	GLY	VAL	THR
18	ARG	GLU	LEU	MET	ARG	GLU	LEU	ASN	GLY	GLY

1	MET	GLU	SER	LEU	VAL	PRO	GLY	PHE	ASN	GLU
2	LYS	THR	HIS	VAL	GLN	LEU	SER	LEU	PRO	VAL
3	LEU	GLN	VAL	ARG	ASP	VAL	LEU	VAL	ARG	GLY
4	PHE	GLY	ASP	SER	VAL	GLU	GLU	VAL	LEU	SER
5	GLU	ALA	ARG	GLN	HIS	LEU	LYS	ASP	GLY	THR
6	CYS	GLY	LEU	VAL	GLU	VAL	GLU	LYS	GLY	VAL
7	LEU	PRO	GLN	LEU	GLU	GLN	PRO	TYR	VAL	PHE
8	ILE	LYS	ARG	SER	ASP	ALA	ARG	THR	ALA	PRO
9	HIS	GLY	HIS	VAL	MET	VAL	GLU	LEU	VAL	ALA
10	GLU	LEU	GLU	GLY	ILE	GLN	TYR	GLY	ARG	SER
11	GLY	GLU	THR	LEU	GLY	VAL	LEU	VAL	PRO	HIS
12	VAL	GLY	GLU	ILE	PRO	VAL	ALA	TYR	ARG	LYS
13	VAL	LEU	LEU	ARG	LYS	ASN	GLY	ASN	LYS	GLY
14	ALA	GLY	GLY	HIS	SER	TYR	GLY	ALA	ASP	LEU
15	LYS	SER	PHE	ASP	LEU	GLY	ASP	GLU	LEU	GLY
16	THR	ASP	PRO	TYR	GLU	ASP	PHE	GLN	GLU	ASN
17	TRP	ASN	THR	LYS	HIS	SER	SER	GLY	VAL	THR
18	ARG	GLU	LEU	MET	ARG	GLU	LEU	ASN	GLY	GLY