BMRB Entry 51869

Name: Resonance assignment of the preQ1 riboswitch from Thermotoga tengcongensis
Published: 2023-04-06

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51869

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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:

Resonance assignment of the preQ1 riboswitch from Thermotoga tengcongensis

Deposition date:

2023-03-06

Original release date:

2023-04-06

Authors:

Ruckriegel, Stefanie; Hohmann, Katharina

Citation:

Citation: Ruckriegel, Stefanie; Hohmann, Katharina; Furtig, Boris. "A Protonated Cytidine Stabilizes the Ligand-Binding Pocket in the PreQ1 Riboswitch in Thermophilic Bacteria" Chembiochem 24, e202300228-e202300228 (2023).
PubMed: 37314020

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, Formula weight is not available
entity_PRF, non-polymer, 179.179 Da.

Natural source:

Natural source: Common Name: Caldanaerobacter subterraneus subsp. tengcongensis Taxonomy ID: 911092 Superkingdom: Bacteria Kingdom: not available Genus/species: Caldanaerobacter subterraneus

Experimental source:

Experimental source: Production method: in vitro transcription Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CUGGGUCGCAGUAACCCCAG UUAACAAAACAAG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	296
15N chemical shifts	121
1H chemical shifts	293
31P chemical shifts	31

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	riboswitch	1
2	ligand	2

Entities:

Entity 1, riboswitch 33 residues - Formula weight is not available

1

C

U

G

U

C

G

C

A

2

G

U

A

C

A

G

3

U

A

C

A

C

4

A

G

Entity 2, ligand - C7 H9 N5 O - 179.179 Da.

1

PRF

Samples:

sample_1: preQ1 riboswitch, [U-99% 13C; U-99% 15N], 805 uM; PRF 1127 uM; D2O, [U-99% 2H], 10%

sample_conditions_1: ionic strength: 518 mM; pH: 6.2; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HNN COSY	sample_1	isotropic	sample_conditions_1
3D HCP TOCSY	sample_1	isotropic	sample_conditions_1
2D CC-TOCSY	sample_1	isotropic	sample_conditions_1
2D HDQC	sample_1	isotropic	sample_conditions_1

Software:

SPARKY - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz