BMRB Entry 50665

Name: 3_s2m
Published: 2022-02-01

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50665

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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:

3_s2m

Deposition date:

2020-12-20

Original release date:

2022-02-01

Authors:

Schwalbe, Harald; Sreeramulu, Sridhar; Richter, Christian

Citation:

Citation: Sreeramulu, Sridhar; Richter, Christian; Berg, Hannes; Wirtz Martin, Maria; Ceylan, Betul; Matzel, Tobias; Adam, Jennifer; Altincekic, Nadide; Azzaoui, Kamal; Bains, Jasleen Kaur; Blommers, Marcel; Ferner, Jan; Furtig, Boris; Gobel, M.; Grun, J Tassilo; Hengesbach, Martin; Hohmann, Katharina; Hymon, Daniel; Knezic, Bozana; Martins, Jason; Mertinkus, Klara; Niesteruk, Anna; Peter, Stephen; Pyper, Dennis; Qureshi, Nusrat; Scheffer, Ute; Schlundt, Andreas; Schnieders, Robbin; Stirnal, Elke; Sudakov, Alexey; Troster, Alix; Vogele, Jennifer; Wacker, Anna; Weigand, Julia; Wirmer-Bartoschek, Julia; Wohnert, Jens; Schwalbe, Harald. "Exploring the druggability of conserved RNA regulatory elements in the SARS-CoV-2 genome" Angew. Chem. Int. Ed. Engl. 60, 19191-19200 (2021).
PubMed: 34161644

Assembly members:

Assembly members:
entity_1, polymer, 45 residues, Formula weight is not available
entity_2, non-polymer, 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: transcription Host organism: in-vitro

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGUUCACCGAGGCCACGCGG AGUACGAUCGAGUGUACAGU GAACC

Data sets:

Data type

Count

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	3_s2m	1
2	DSI-Poised Library (DSI-PL)	2

Entities:

Entity 1, 3_s2m 45 residues - Formula weight is not available

1

G

U

C

A

C

G

A

2

G

C

A

C

G

C

G

3

A

G

U

A

C

G

A

U

C

G

4

A

G

U

G

U

A

C

A

G

U

5

G

A

C

Entity 2, DSI-Poised Library (DSI-PL) - Formula weight is not available

Samples:

sample_1: 3_s2m 10 uM; potassium phosphate 25 mM; KCl 50 mM; H2O 95%; DMSO, [U-100% 2H], 5%; Fragment 1 200 uM; Fragment 2 200 uM; Fragment 3 200 uM; Fragment 4 200 uM; Fragment 5 200 uM; Fragment 6 200 uM; Fragment 7 200 uM; Fragment 8 200 uM; Fragment 9 200 uM; Fragment 10 200 uM; Fragment 11 200 uM; Fragment 12 200 uM

sample_2: potassium phosphate 25 mM; KCl 50 mM; H2O 95%; DMSO, [U-100% 2H], 5%; Fragment 1 200 uM; Fragment 2 200 uM; Fragment 3 200 uM; Fragment 4 200 uM; Fragment 5 200 uM; Fragment 6 200 uM; Fragment 7 200 uM; Fragment 8 200 uM; Fragment 9 200 uM; Fragment 10 200 uM; Fragment 11 200 uM; Fragment 12 200 uM

sample_conditions_1: ionic strength: 75 mM; pH: 6.2; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
1D 1H waterLOGSY	sample_1	isotropic	sample_conditions_1
1H R2 CPMG 5ms	sample_1	isotropic	sample_conditions_1
1H R2 CPMG 100ms	sample_1	isotropic	sample_conditions_1
1D 1H ref	sample_2	isotropic	sample_conditions_1
1D 1H waterLOGSY ref	sample_2	isotropic	sample_conditions_1
1H R2 CPMG 5ms ref	sample_2	isotropic	sample_conditions_1
1H R2 CPMG 100ms ref	sample_2	isotropic	sample_conditions_1

Software:

LOGS v2.2 - collection

TOPSPIN v4.0.9 - collection, data analysis

NMR spectrometers:

Bruker Bruker Avance III 600 MHz