BMRB Entry 34796

Name: Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop
Published: 2023-07-13

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PDB ID: 8clr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34796
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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:

Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop

Deposition date:

2023-02-17

Original release date:

2023-07-13

Authors:

Oxenfarth, A.; Kuemmerer, F.; Bottaro, S.; Schnieders, R.; Pinter, G.; Jonker, H.; Fuertig, B.; Richter, C.; Blackledge, M.; Lindorff-Larsen, K.; Schwalbe, H.

Citation:

Citation: Oxenfarth, A.; Kuemmerer, F.; Bottaro, S.; Schnieders, R.; Pinter, G.; Jonker, H.; Fuertig, B.; Richter, C.; Blackledge, M.; Lindorff-Larsen, K.; Schwalbe, H.. "Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop" .

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, 4454.683 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 2086595 Superkingdom: not available Kingdom: not available Genus/species: synthetic RNA

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGCAGCUUGCUGCC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	93
15N chemical shifts	10
1H chemical shifts	122
31P chemical shifts	13

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 14 residues - 4454.683 Da.

1

G

C

A

G

C

U

G

C

2

U

G

C

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_6	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_7	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_7	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_6	anisotropic	sample_conditions_1
3D qHCP	sample_2	isotropic	sample_conditions_1
2D qHCP	sample_2	isotropic	sample_conditions_1
2D P-FIDS	sample_2	isotropic	sample_conditions_1
3D HCC-TOCSY-CCH-E.COSY	sample_2	isotropic	sample_conditions_1
2D HNN-COSY	sample_1	isotropic	sample_conditions_1
2D gamma HCCH	sample_2	isotropic	sample_conditions_1
2D gamma HCNCH	sample_2	isotropic	sample_conditions_1
2D gamma HCP	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D HCN	sample_1	isotropic	sample_conditions_1
3D forward directed HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D HCP	sample_2	isotropic	sample_conditions_1

BMRB Entry 34796

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: