BMRB Entry 30386

Name: Two-State 14-mer UUCG Tetraloop calculated from Exact NOEs (State one: Conformers 1-5, State Two: Conformers 6-10)
Published: 2018-06-07

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PDB ID: 6by4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30386
MolProbity Validation Chart

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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:

Two-State 14-mer UUCG Tetraloop calculated from Exact NOEs (State one: Conformers 1-5, State Two: Conformers 6-10)

Deposition date:

2017-12-19

Original release date:

2018-06-07

Authors:

Nichols, P.; Henen, M.; Born, A.; Strotz, D.; Guntert, P.; Vogeli, B.

Citation:

Citation: Nichols, P.; Henen, M.; Born, A.; Strotz, D.; Guntert, P.; Vogeli, B.. "High-resolution small RNA structures from exact nuclear Overhauser enhancement measurements without additional restraints" Commun. Biol. 1, 61-61 (2018).
PubMed: 30271943

Assembly members:

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

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGCACUUCGGUGCC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
1H chemical shifts	200

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 14 residues - 4454.683 Da.

1

G

C

A

C

U

C

G

2

U

G

C

Samples:

sample_1: KHPO4 20 mM; EDTA 0.4 mM; 14-mer UUCG Tetraloop 1 mM

sample_2: KHPO4 20 mM; EDTA 0.4 mM; 14-mer UUCG Tetraloop 1.7 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D WaterGate [1H-1H] NOESY buildup series	sample_1	isotropic	sample_conditions_1
2D PreSat [1H-1H] NOESY buildup series	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNMR, CCPN - peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis, refinement, structure calculation

NMR spectrometers:

Varian Varian Direct Drive 900 MHz