BMRB Entry 34312

Name: Solution structure of the RNA duplex formed by the 5&#039;-end of U1snRNA and the 5&#039;-splice site of SMN2 exon7 in complex with the SMN-C5 splicing modifier
Published: 2019-08-07

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PDB ID: 6hmo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34312
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:

Solution structure of the RNA duplex formed by the 5'-end of U1snRNA and the 5'-splice site of SMN2 exon7 in complex with the SMN-C5 splicing modifier

Deposition date:

2018-09-12

Original release date:

2019-08-07

Authors:

Campagne, S.; Allain, F.

Citation:

Citation: Campagne, Sebastien; Boigner, Sarah; Rudisser, Simon; Moursy, Ahmed; Gillioz, Laurent; Knorlein, Anna; Hall, Jonathan; Ratni, Hasane; Clery, Antoine; Allain, Frederic H-T. "Structural basis of a small molecule targeting RNA for a specific splicing correction" Nat. Chem. Biol. 15, 1191-1198 (2019).
PubMed: 31636429

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, 3428.074 Da.
entity_2, polymer, 11 residues, 3547.162 Da.
entity_GDZ, non-polymer, 392.429 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: synthetic construct

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AUACXXACCUG
entity_2: GGAGUAAGUCU

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	147
1H chemical shifts	194

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2
3	entity_3	3

Entities:

Entity 1, entity_1 11 residues - 3428.074 Da.

1

A

U

A

C

PSU

A

C

U

2

G

Entity 2, entity_2 11 residues - 3547.162 Da.

1

G

A

G

U

A

G

U

C

2

U

Entity 3, entity_3 - C21 H21 F N6 O - 392.429 Da.

1

GDZ

Samples:

sample_1: entity_1 0.8 mM; entity_2 0.8 mM; entity_3 1.6 mM; MES, [U-2H], 10 mM; sodium chloride 50 mM; glycerol, [U-2H], 6%

sample_2: entity_1 0.8 mM; entity_2 0.8 mM; entity_3 1.6 mM; MES, [U-2H], 10 mM; sodium chloride 50 mM; glycerol, [U-2H], 6%

sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1

Software:

Amber v12, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA v3.2, Guntert, Mumenthaler and Wuthrich - peak picking, structure calculation

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker 900 Avance 900 MHz
Bruker 600 Avance 600 MHz