BMRB Entry 34390

Name: A quadruplex hybrid structure with lpp loop orientation and 5 syn residues
Published: 2019-10-17

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PDB ID: 6r9l
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34390
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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:

A quadruplex hybrid structure with lpp loop orientation and 5 syn residues

Deposition date:

2019-04-03

Original release date:

2019-10-17

Authors:

Karg, B.; Weisz, K.

Citation:

Citation: Karg, B.; Mohr, S.; Weisz, K.. "Duplex-Guided Refolding into Novel G-Quadruplex (3+1) Hybrid Conformations." Angew. Chem. Int. Ed. Engl. 58, 11068-11071 (2019).
PubMed: 31134741

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, 8050.834 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: GCGTGGGTCAGGGTXGGTXG GACGC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	25
1H chemical shifts	139

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 25 residues - 8050.834 Da.

1

DG

DC

DG

DT

DG

DT

DC

DA

2

DG

DT

BGM

DG

DT

BGM

DG

3

DG

DA

DC

DG

DC

Samples:

sample_1: MYC4t-5s 0.8 mM; potassium phosphate 10 mM

sample_2: MYC4t-5s 0.8 mM; potassium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7 pH*; pressure: 1 atm; temperature: 303 K

Experiments:

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

Software:

TopSpin v3, Bruker Biospin - processing

CcpNmr Analysis, CCPN - chemical shift assignment

Xplor-NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

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

NMR spectrometers:

Bruker AVANCE NEO 600 MHz