BMRB Entry 50268

Name: Small Molecule Targeting IRES Domain Inhibits Enterovirus 71 Replication via an Allosteric Mechanism that Stabilizes a Ternary Complex
Published: 2020-06-10

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PDB ID: 6xb7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50268
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:

Small Molecule Targeting IRES Domain Inhibits Enterovirus 71 Replication via an Allosteric Mechanism that Stabilizes a Ternary Complex

Deposition date:

2020-05-10

Original release date:

2020-06-10

Authors:

Davila-Calderon, Jesse; Patwardhan, Neeraj; Chiu, Liang-Yuan; Sugarman, Andrew; Cai, Zhengguo; Penutmutchu, Srinivasa; Li, Mei-Ling; Brewer, Gary; Hargrove, Amanda; Tolbert, Blanton

Citation:

Citation: Davila-Calderon, Jesse; Patwardhan, Neeraj; Chiu, Liang-Yuan; Sugarman, Andrew; Cai, Zhengguo; Penutmutchu, Srinivasa; Li, Mei-Ling; Brewer, Gary; Hargrove, Amanda; Tolbert, Blanton. "IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex" Nat. Commun. 11, 4775-4775 (2020).
PubMed: 32963221

Assembly members:

Assembly members:
entity_1, polymer, 41 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Enterovirus A71 Taxonomy ID: 138948 Superkingdom: Viruses Kingdom: not available Genus/species: Enterovirus Enterovirus A71

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGAUCAAUAGCAGGUGUGGC ACACCAGUCAUACCUUGAUC C

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	119

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	EV71 RNA(41-MER)	1

Entities:

Entity 1, EV71 RNA(41-MER) 41 residues - Formula weight is not available

1

G

A

U

C

A

U

A

G

2

C

A

G

U

G

U

G

C

3

A

C

A

C

A

G

U

C

A

4

U

A

C

U

G

A

U

C

5

C

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_4	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1

BMRB Entry 50268

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: