BMRB Entry 34302

Name: The major G-quadruplex form of HIV-1 LTR
Published: 2018-10-12

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PDB ID: 6h1k
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34302
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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:

The major G-quadruplex form of HIV-1 LTR

Deposition date:

2018-07-11

Original release date:

2018-10-12

Authors:

Phan, A.; Heddi, B.; Butovskaya, E.; Bakalar, B.; Richter, S.

Citation:

Citation: Butovskaya, E.; Heddi, B.; Bakalar, B.; Richter, S.; Phan, A.. "Major G-Quadruplex Form of HIV-1 LTR Reveals a (3 + 1) Folding Topology Containing a Stem-Loop" J. Am. Chem. Soc. 140, 13654-13662 (2018).
PubMed: 30299955

Assembly members:

Assembly members:
entity_1, polymer, 28 residues, 8865.647 Da.

Natural source:

Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGGAGGCGTGGCCTGGGCGG GACTGGGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	229

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 28 residues - 8865.647 Da.

1

DG

DA

DG

DC

DG

DT

DG

2

DG

DC

DT

DG

DC

DG

3

DG

DA

DC

DT

DG

Samples:

sample_1: potassium chloride 70 mM; potassium phosphate 20 mM; DNA (28-MER) 1 mM

sample_conditions_1: ionic strength: 90 mM; pH: 7.0; pressure: 1 Pa; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMBC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceII 600 MHz
Bruker AvanceII 700 MHz