BMRB Entry 34524

Name: Structure of a parallel c-Myc modified with 3' duplex stem-loop overhang
Published: 2020-10-01

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PDB ID: 6zl2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34524
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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:

Structure of a parallel c-Myc modified with 3' duplex stem-loop overhang

Deposition date:

2020-06-30

Original release date:

2020-10-01

Authors:

Vianney, Y.; Weisz, K.

Citation:

Citation: Vianney, Y.; Preckwinkel, P.; Mohr, S.; Weisz, K.. "Quadruplex-Duplex Junction: A High-Affinity Binding Site for Indoloquinoline Ligands" Chemistry 26, 16910-16922 (2020).
PubMed: 32975874

Assembly members:

Assembly members:
entity_1, polymer, 36 residues, 11315.241 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TGAGGGTGGGTAGGGTGGGC TAGTCATTTTGACTAG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	34
1H chemical shifts	251

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 36 residues - 11315.241 Da.

1

DT

DG

DA

DG

DT

DG

2

DT

DA

DG

DT

DG

DC

3

DT

DA

DG

DT

DC

DA

DT

4

DG

DA

DC

DT

DA

DG

Samples:

sample_1: Nucleic acid 0.5 mM; potassium phosphate buffer 10 mM

sample_2: Nucleic acid 0.5 mM; potassium phosphate buffer 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K

sample_conditions_2: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_2

Software:

CcpNmr Analysis v2.4.2, G.W. Vuister, R.H. Fogh - chemical shift assignment, data analysis, peak picking

X-PLOR NIH v2.52, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

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

NMR spectrometers:

Bruker AVANCE NEO 600 MHz