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PDB ID: 30sc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR35053
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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:

Hairpin Inosine GCAA tetraloop

Deposition date:

2026-05-11

Original release date:

2026-07-21

Authors:

Mitteregger, C.; Micura, R.; Kreutz, C.

Citation:

Citation: Mitteregger, C.; Micura, R.; Kreutz, C.. "Hairpin Inosine GCAA tetraloop " .

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 4815.938 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GAAIGGCAACCUUCG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	87
1H chemical shifts	116

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 15 residues - 4815.938 Da.

1

G

A

I

G

C

A

C

2

C

U

C

G

Samples:

sample_1: RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3'), no, 0.5 mM; sodium phosphate, no, 15 mM; sodium chloride, no, 25 mM

sample_2: RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3'), no, 0.5 mM; sodium phosphate, no, 15 mM; sodium chloride, no, 25 mM

sample_3: RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3'), no, 1.5 mM; sodium phosphate, no, 15 mM; sodium chloride, no, 25 mM; Pf1 phage, no, 15 mg/mL

sample_conditions_1: ionic strength: 25 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K

sample_conditions_2: ionic strength: 25 mM; pH: 6.5; pressure: 1 bar; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_2	isotropic	sample_conditions_1
2D NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	anisotropic	sample_conditions_1
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_1

Software:

Poky, Manthey, Tonelli, Clos II, Rahimi, Markley and Lee - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

TopSpin, Bruker Biospin - processing

NMR spectrometers:

Bruker AVANCE NEO 700 MHz
Bruker AVANCE NEO 600 MHz

BMRB Entry 35053