BMRB Entry 50448

Name: 1H-13C-15N Sars Unique Domain CoV-2 (nsp3c) N-terminal domain
Published: 2020-12-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50448

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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:

1H-13C-15N Sars Unique Domain CoV-2 (nsp3c) N-terminal domain

Deposition date:

2020-08-31

Original release date:

2020-12-22

Authors:

Gallo, Angelo; Tsika, Aikaterini; Fourkiotis, Nikos; Spyroulias, Georgios

Citation:

Citation: Gallo, Angelo; Tsika, Aikaterini; Fourkiotis, Nikolaos; Cantini, Francesca; Banci, Lucia; Sreeramulu, Sridhar; Schwalbe, Harald; Spyroulias, Georgios. "1H, 13C and 15N chemical shift assignments of the SUD domains of SARS-CoV-2 non-structural protein 3c: "the N-terminal domain-SUD-N"" Biomol. NMR Assign. 15, 85-89 (2021).
PubMed: 33225414

Assembly members:

Assembly members:
entity_1, polymer, 142 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: pGex4T-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSQDDKKIKACVEEVTTTLE ETKFLTENLLLYIDINGNLH PDSATLVSDIDITFLKKDAP YIVGDVVQEGVLTAVVIPTK KAGGTTEMLAKALRKVPTDN YITTYPGQGLNGYTVEEAKT VLKKCKSAFYILPSIISNEK QE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	568
15N chemical shifts	127
1H chemical shifts	916

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-terminal domain	1

Entities:

Entity 1, N-terminal domain 142 residues - Formula weight is not available

GS are the remaining of the cleavage site

1

GLY

SER

GLN

ASP

LYS

ILE

LYS

ALA

2

CYS

VAL

GLU

VAL

THR

LEU

GLU

3

GLU

THR

LYS

PHE

LEU

THR

GLU

ASN

LEU

4

LEU

TYR

ILE

ASP

ILE

ASN

GLY

ASN

LEU

HIS

5

PRO

ASP

SER

ALA

THR

LEU

VAL

SER

ASP

ILE

6

ASP

ILE

THR

PHE

LEU

LYS

ASP

ALA

PRO

7

TYR

ILE

VAL

GLY

ASP

VAL

GLN

GLU

GLY

8

VAL

LEU

THR

ALA

VAL

ILE

PRO

THR

LYS

9

LYS

ALA

GLY

THR

GLU

MET

LEU

ALA

10

LYS

ALA

LEU

ARG

LYS

VAL

PRO

THR

ASP

ASN

11

TYR

ILE

THR

TYR

PRO

GLY

GLN

GLY

LEU

12

ASN

GLY

TYR

THR

VAL

GLU

ALA

LYS

THR

13

VAL

LEU

LYS

CYS

LYS

SER

ALA

PHE

TYR

14

ILE

LEU

PRO

SER

ILE

SER

ASN

GLU

LYS

15

GLN

GLU

Samples:

sample_1: SARS Unique Domain N-terminal domain of SARS-CoV-2, [U-100% 13C; U-100% 15N], 0.95 mM; D2O, [U-2H], 10%; DTT 2 mM; H2O 90%; sodium azide 2 mM; EDTA 2 mM; sodium chloride 50 mM; sodium phosphate 50 mM; Protease inhibitor 1 na

sample_conditions_1: ionic strength: 100 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.0.6 - collection, processing

CARA - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III HD 700 MHz