BMRB Entry 30700

Name: Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP
Published: 2020-05-15

Click here to enlarge.

PDB ID: 6va4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30700
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP

Deposition date:

2019-12-16

Original release date:

2020-05-15

Authors:

Chen, J.; Fountain, M.; Disney, M.

Citation:

Citation: Chen, Jonathan; Zhang, Peiyuan; Abe, Masahito; Aikawa, Haruo; Zhang, Liying; Frank, Alexander; Zembryski, Timothy; Hubbs, Christopher; Park, HaJeung; Withka, Jane; Steppan, Claire; Rogers, Lucy; Cabral, Shawn; Pettersson, Martin; Wager, Travis; Fountain, Matthew; Rumbaugh, Gavin; Childs-Disney, Jessica; Disney, Matthew. "Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing" J. Am. Chem. Soc. 142, 8706-8727 (2020).
PubMed: 32364710

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, 3538.154 Da.
entity_2, polymer, 10 residues, 3175.964 Da.
entity_QSY, non-polymer, 368.473 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CCGGCAGUGUG
entity_2: CACACGUCGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
1H chemical shifts	126

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

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 - 3538.154 Da.

1

C

G

C

A

G

U

G

U

2

G

Entity 2, entity_2 10 residues - 3175.964 Da.

1

C

A

C

A

C

G

U

C

G

Entity 3, entity_3 - C21 H29 N4 O2 - 368.473 Da.

1

QSY

Samples:

sample_1: entity_1 0.4 mM; entity_2 0.4 mM; MIP 0.6 mM; KH2PO4/K2HPO4 10 mM; EDTA 0.05 mM

sample_2: entity_1 0.4 mM; entity_2 0.4 mM; MIP 0.6 mM; KH2PO4/K2HPO4 10 mM; EDTA 0.05 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
D2O 2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
H2O 2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
D2O 2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

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

TopSpin, Bruker Biospin - processing

Sparky, Goddard - chemical shift assignment

Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE III 700 MHz
Bruker AVANCE III 850 MHz