Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53975

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C and 15N chemical shift assignments of an RNA hairpin construct for WT h44-top from the E. coli 70S ribosome

Deposition date:

2026-08-12

Original release date:

2026-11-03

Authors:

Steinmetzger, Christian; Petzold, Katja

Citation:

Citation: Steinmetzger, Christian; Karlsson, Hampus; Fontana, Carolina; Galindo Riera, Natalia; Riad, Magdalena; Kosek, David; Schlagnitweit, Judith; Steiner, Emilie; Sandoz, Sarah; Andersson, Emma; Petzold, Katja. "Universal 3D Motif dynamics in RNA: The A-minor Switch " Nucleic Acids Res. ., .-. (2026).

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: in vitro transcription Host organism: cell free

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGCGCUUAACCUUCGGGAGG GCGCC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	45
15N chemical shifts	45
1H chemical shifts	88

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hairpin	1

Entities:

Entity 1, hairpin 25 residues - Formula weight is not available

1

G

C

G

C

U

A

C

2

C

U

C

G

A

G

3

G

C

G

C

Samples:

sample_1: h44-top_wt 25mer RNA hairpin 1 mM; NaP 15 mM; NaCl 25 mM; EDTA 0.5 mM

sample_2: h44-top_wt 25mer RNA hairpin, [U-13C; U-15N], 1 mM; NaP 15 mM; NaCl 25 mM; EDTA 0.5 mM

sample_conditions_1: pH: 6.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D HCN aromatic	sample_2	isotropic	sample_conditions_1
2D HCN aliphatic	sample_2	isotropic	sample_conditions_1
2D HCCNH	sample_2	isotropic	sample_conditions_1
2D HNN-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1

Software:

CcpNMR v3 - chemical shift assignment

TOPSPIN v3 - collection, processing

NMR spectrometers:

Bruker AVANCE III 600 MHz

BMRB Entry 53975