BMRB Entry 34171

Name: NMR derived model of the 5'-splice site of SMN2 in complex with the 5'-end of U1 snRNA
Published: 2017-08-25

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PDB ID: 5or0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34171
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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:

NMR derived model of the 5'-splice site of SMN2 in complex with the 5'-end of U1 snRNA

Deposition date:

2017-08-14

Original release date:

2017-08-25

Authors:

Campagne, S.; Clery, A.; Allain, F.

Citation:

Citation: Sivaramakrishnan, Manaswini; McCarthy, Kathleen; Campagne, Sebastien; Huber, Sylwia; Meier, Sonja; Augustin, Angelique; Heckel, Tobias; Meistermann, Helene; Hug, Melanie; Birrer, Pascale; Moursy, Ahmed; Khawaja, Sarah; Schmucki, Roland; Berntenis, Nikos; Giroud, Nicolas; Golling, Sabrina; Tzouros, Manuel; Banfai, Balazs; Duran-Pacheco, Gonzalo; Lamerz, Jens; Hsiu Liu, Ying; Luebbers, Thomas; Ratni, Hasane; Ebeling, Martin; Clery, Antoine; Paushkin, Sergey; Krainer, Adrian; Allain, Frederic H-T; Metzger, Friedrich. "Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers." Nat. Commun. 8, 1476-1476 (2017).
PubMed: 29133793

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, 3428.074 Da.
entity_2, polymer, 11 residues, 3547.162 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: Homo sapiens

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	166

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

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

Samples:

sample_1: MES, deuterated, 10 mM; RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3') 1 mM; RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3') 1 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 bar; temperature: 283 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 aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment

CYANA v3.98, Guntert, Mumenthaler and Wuthrich - structure calculation

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker AvanceIII 900 MHz