BMRB Entry 50760

Name: 1H, 13C,15N and 31P chemical shift assignment of the stem-loop 4 from the 5'-UTR of SARS-CoV-2
Published: 2021-05-18

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PDB ID: 8cq1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50760
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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 and 31P chemical shift assignment of the stem-loop 4 from the 5'-UTR of SARS-CoV-2

Deposition date:

2021-02-10

Original release date:

2021-05-18

Authors:

Vogele, Jennifer; Ferner, Jan-Peter; Altincekic, Nadide; Kaur Bains, Jasleen; Ceylan, Betul; Furtig, Boris; Grun, J Tassilo; Hengesbach, Martin; Hohmann, Katharina; Hymon, Daniel; Knezic, Bozana; Peter, Stephen; Pyper, Dennis; Qureshi, Nusrat; Richter, Christian; Schlundt, Andreas; Schnieders, Robbin; Schwalbe, Harald; Stirnal, Elke; Sudakov, Alexey; Wacker, Anna; Weigand, Julia; Wirmer-Baroschek, Julia; Wohnert, Jens; Duchardt-Ferner, Elke

Citation:

Citation: Vogele, Jennifer; Ferner, Jan-Peter; Altincekic, Nadide; Kaur Bains, Jasleen; Ceylan, Betul; Furtig, Boris; Grun, J Tassilo; Hengesbach, Martin; Hohmann, Katharina; Hymon, Daniel; Knezic, Bozana; Peter, Stephen; Pyper, Dennis; Qureshi, Nusrat; Richter, Christian; Schlundt, Andreas; Schnieders, Robbin; Schwalbe, Harald; Stirnal, Elke; Sudakov, Alexey; Wacker, Anna; Weigand, Julia; Wirmer-Baroschek, Julia; Wohnert, Jens; Duchardt-Ferner, Elke. "1H, 13C, 15N and 31P chemical shift assignment for stem-loop 4 from the 5'-UTR of SARS-CoV-2" Biomolecular NMR Assignments 15, 335-340 (2021).
PubMed: 33928512

Assembly members:

Assembly members:
entity_1, polymer, 25 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: in vitro transcription Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGCACUCGGCUGCAUGCUUA GUGCC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	204
15N chemical shifts	69
1H chemical shifts	228
31P chemical shifts	24

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	5_SL4	1

Entities:

Entity 1, 5_SL4 25 residues - Formula weight is not available

1

G

C

A

C

U

C

G

C

2

U

G

C

A

U

G

C

U

A

3

G

U

G

C

Samples:

sample_1: 5_SL4short, [U-13C; U-15N ], 350 uM; potassium phosphate 25 mM; KCl 50 mM

sample_2: 5_SL4short, [U-13C; U-15N ], 350 uM; potassium phosphate 25 mM; KCl 50 mM

sample_conditions_1: ionic strength: 75 mM; pH: 6.2; pressure: 1 atm; temperature: 283 K

sample_conditions_2: ionic strength: 75 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HSQC[15N]-2J	sample_2	isotropic	sample_conditions_2
HSQC[15N]-Imino	sample_1	isotropic	sample_conditions_1
HSQC[15N]-Amino	sample_1	isotropic	sample_conditions_1
NOESY[15N]CPMG	sample_1	isotropic	sample_conditions_1
HSQC[13C]	sample_2	isotropic	sample_conditions_2
HSQC[13C]	sample_2	isotropic	sample_conditions_2
NOESY HSQC [13C]	sample_2	isotropic	sample_conditions_2
NOESY HSQC [13C]	sample_2	isotropic	sample_conditions_2
H(N)CO	sample_1	isotropic	sample_conditions_1
H(C)P-TOCSY	sample_2	isotropic	sample_conditions_2
H5(C5C4)N3	sample_2	isotropic	sample_conditions_2
H5(C5C4)N3	sample_2	isotropic	sample_conditions_2
H5(C5)C4	sample_2	isotropic	sample_conditions_2
H6(C6N1)C2	sample_2	isotropic	sample_conditions_2

Software:

LOGS v2.2 - collection

CARA v1.9.1.7 - chemical shift assignment, peak picking

TOPSPIN v4.0.6 - collection

NMR spectrometers:

Bruker Bruker Avance 600 MHz 600 MHz
Bruker Bruker Avance 800 MHz 800 MHz
Bruker Bruker Avance 900 MHz 900 MHz
Bruker Bruker Avance 950 MHz 950 MHz
Bruker Bruker Avance 700 MHz 700 MHz