BMRB Entry 51138

Name: Assignment of base 15N and 1H chemical shifts for &lt;5_SL5B_GC&gt;
Published: 2022-02-18

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PDB ID: 9fo8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51138
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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:

Assignment of base 15N and 1H chemical shifts for <5_SL5B_GC>

Deposition date:

2021-10-14

Original release date:

2022-02-18

Authors:

Schwalbe, Harald; Mertinkus, Klara; Richter, Christian

Citation:

Citation: Mertinkus, Klara; Grun, J. Tassilo; Altincekic, Nadide; Kaur Bains, Jasleen; Ceylan, Betul; Ferner, Jan-Peter; Frydman, Lucio; Furtig, Boris; Hengesbach, Martin; Hohmann, Katharina; Hymon, Daniel; Kim, Jihyun; Knezic, Bozana; Novakovic, Mihajlo; Oxenfarth, Andreas; Peter, Stephen; Qureshi, Nusrat; Richter, Christian; Scherf, Tali; Schlundt, Andreas; Schnieders, Robbin; Schwalbe, Harald; Stirnal, Elke; Sudakov, Alexey; Vogele, Jennifer; Wacker, Anna; Weigand, Julia; Wirmer-Bartoschek, Julia; Wirtz Martin, Maria; Wohnert, Jens. "1H, 13C and 15N chemical shift assignment of the stem-loops 5b + c from the 5'-UTR of SARS-CoV-2" Biomol. NMR Assignments 16, 17-25 (2022).
PubMed: 35178672

Assembly members:

Assembly members:
entity_1, polymer, 29 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: in vitro

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGCACAUCUAGGUUUCGUCC GGGUGUGCC

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	284
15N chemical shifts	133
1H chemical shifts	336
31P chemical shifts	19

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SL5B_GC	1

Entities:

Entity 1, SL5B_GC 29 residues - Formula weight is not available

1

G

C

A

C

A

U

C

U

A

2

G

U

C

G

U

C

3

G

U

G

U

G

C

Samples:

sample_1: SL5b_GC, [U-13C; U-15N], 510 uM; potassium phosphate 25 mM; potassium chloride 50 mM

sample_2: SL5b_GC, [U-13C; U-15N], 300 uM; potassium phosphate 25 mM; potassium chloride 50 mM

sample_conditions_1: pH: 6.2; temperature: 283 K

sample_conditions_2: pH: 6.2; temperature: 298 K

sample_conditions_3: pH: 6.2; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HNN COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC NH2 only	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2
2D 1H-13C HCCNH	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_2
3D NOESY HSQC	sample_1	isotropic	sample_conditions_2
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_2
3D HCN	sample_2	isotropic	sample_conditions_2
3D HCP	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_2
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_2
3D HNCO	sample_1	isotropic	sample_conditions_2
2D HCCNH	sample_1	isotropic	sample_conditions_2
2D 1H-15N HNN COSY	sample_1	isotropic	sample_conditions_2
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
2D 13C-15N HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-15N 2J-HSQC	sample_1	isotropic	sample_conditions_2
3D fw-HC-TOCSY-CCH	sample_1	isotropic	sample_conditions_2
2D 1H-13C H68C68N19C24	sample_1	isotropic	sample_conditions_2
3D HCCH-TOCSY-C4p	sample_1	isotropic	sample_conditions_2
2D 1H-13C HCCH-COSY	sample_1	isotropic	sample_conditions_2
2D 1H-15N LR-HNN-COSY	sample_1	isotropic	sample_conditions_2
2D 1H-15N LR-HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_3

Software:

NMRFAM-SPARKY - chemical shift assignment

TOPSPIN v3.6.3 - processing

NMR spectrometers:

Bruker AVANCE III 800 MHz MHz
Bruker AVANCE III 600 MHz MHz
Bruker AVANCE III 700 MHz MHz
Bruker AVANCE NEO 600 MHz MHz