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PDB ID: 9imy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36680
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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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Name: Solution structure of MAX1A G-quadruplex DNA
Published: 2026-06-08

Title:

Solution structure of MAX1A G-quadruplex DNA

Deposition date:

2024-07-05

Original release date:

2026-06-08

Authors:

Hu, X.; Cao, C.

Citation:

Citation: Hu, X.; Cao, C.. "Solution structure of MAX G-quadruplex DNA" .

Assembly members:

Assembly members:
DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*GP*AP*AP*GP*GP*GP*GP*TP*GP*AP*AP*GP*GP*GP*GP*A)-3'), polymer, 24 residues, 7718.978 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 Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*GP*AP*AP*GP*GP*GP*GP*TP*GP*AP*AP*GP*GP*GP*GP*A)-3'): AGGGAGGGGAAGGGGTGAAG GGGA

Data sets:

assigned_chemical_shifts
- nef_chemical_shift_list

Data type	Count
1H chemical shifts	230

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 24 residues - 7718.978 Da.

1

DA

DG

DA

DG

DA

2

DA

DG

DT

DG

DA

DG

3

DG

DA

Samples:

sample_1: MAX1A 1.0 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: MAX1A 1.0 mM; D2O, [U-2H], 100%

sample_3: MAX1A 1.0 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1

Software:

VnmrJ, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Sparky, Goddard - peak picking

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

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

NMR spectrometers:

Agilent Premium 800 MHz
Bruker AVANCE 600 MHz

BMRB Entry 36680