BMRB Entry 34312

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   PubMed: 31636429
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).

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:   Production method: recombinant technology   Host organism: synthetic construct

Experimental source:

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

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

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts147
1H chemical shifts194

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22
3entity_33

Entities:

Entity 1, entity_1 11 residues - 3428.074 Da.

1   AUACPSUPSUACCU
2   G

Entity 2, entity_2 11 residues - 3547.162 Da.

1   GGAGUAAGUC
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:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_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