BMRB Entry 34533

Name: Structure of a parallel c-myc modified with 5&#039; duplex stem-loop and 3&#039; diagonal snap-back loop
Published: 2020-10-01

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PDB ID: 6zte
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34533
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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 5' duplex stem-loop and 3' diagonal snap-back loop

Deposition date:

2020-07-20

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, 11340.253 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: GATCAGTTTTACTGATCGGG TGGTGGGTGGGGAAGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	242

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 - 11340.253 Da.

1

DG

DA

DT

DC

DA

DG

DT

2

DA

DC

DT

DG

DA

DT

DC

DG

3

DT

DG

DT

DG

DT

DG

4

DG

DA

DG

Samples:

sample_1: nucleic acid 0.62 mM

sample_2: nucleic acid 0.25 mM

sample_conditions_1: 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_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1

Software:

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, data analysis, peak picking

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

TopSpin v4.0.7, Bruker Biospin - processing

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

NMR spectrometers:

Bruker AVANCE NEO 600 MHz