BMRB Entry 51048

Name: Backbone chemical shift assignments for the post-fusion six-helix bundle (6HB) state of SARS-CoV-2 S2 protein
Published: 2021-10-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51048

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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:

Backbone chemical shift assignments for the post-fusion six-helix bundle (6HB) state of SARS-CoV-2 S2 protein

Deposition date:

2021-07-30

Original release date:

2021-10-13

Authors:

Chiliveri, Sai Chaitanya; Bax, Ad

Citation:

Citation: Chiliveri, Sai Chaitanya; Louis, John; Ghirlando, Rodolfo; Bax, Ad. "Transient lipid-bound states of spike protein heptad repeats provide insights into SARS-CoV-2 membrane fusion" Sci. Adv. 7, eabk2226-eabk2226 (2021).
PubMed: 34623907

Assembly members:

Assembly members:
entity_1, polymer, 96 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: pJ414

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSWNQKLIANQFNSAIGKIQ DSLSSTASALGKLQDVVNQN AQALNTLVKQSGLVPRGSGG INASVVNIQKEIDRLNEVAK NLNESLIDLQELGKYE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	186
15N chemical shifts	93
1H chemical shifts	93

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	6HB	1

Entities:

Entity 1, 6HB 96 residues - Formula weight is not available

1

GLY

SER

TRP

ASN

GLN

LYS

LEU

ILE

ALA

ASN

2

GLN

PHE

ASN

SER

ALA

ILE

GLY

LYS

ILE

GLN

3

ASP

SER

LEU

SER

THR

ALA

SER

ALA

LEU

4

GLY

LYS

LEU

GLN

ASP

VAL

ASN

GLN

ASN

5

ALA

GLN

ALA

LEU

ASN

THR

LEU

VAL

LYS

GLN

6

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

GLY

7

ILE

ASN

ALA

SER

VAL

ASN

ILE

GLN

LYS

8

GLU

ILE

ASP

ARG

LEU

ASN

GLU

VAL

ALA

LYS

9

ASN

LEU

ASN

GLU

SER

LEU

ILE

ASP

LEU

GLN

10

GLU

LEU

GLY

LYS

TYR

GLU

Samples:

sample_1: SARS-CoV-2 S2 6HB, [U-13C; U-15N; U-2H], 0.4 mM; sodium phosphate buffer 20 mM; sodium chloride 30 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

CcpNMR - chemical shift assignment

NMRPipe - processing

NMR spectrometers:

Bruker Avance II 800 MHz