BMRB Entry 34845

Name: d(ATTTC)3 dimeric structure
Published: 2024-02-02

Click here to enlarge.

PDB ID: 8q5q
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34845
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

d(ATTTC)3 dimeric structure

Deposition date:

2023-08-09

Original release date:

2024-02-02

Authors:

Trajkovski, M.; Pastore, A.; Plavec, J.

Citation:

Citation: Trajkovski, M.; Pastore, A.; Plavec, J.. "Dimeric structures of DNA ATTTC repeats promoted by divalent cations" Nucleic Acids Res. 52, 1591-1601 (2024).
PubMed: 38296828

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 4500.951 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: ATTTXATTTCATTTC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	168

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1

Entities:

Entity 1, unit_1 15 residues - 4500.951 Da.

1

DA

DT

DNR

DA

DT

DC

2

DA

DT

DC

Samples:

sample_1: d(ATTTC)3 0.8 mM

sample_2: d(ATTTC)3, [U-13C; U-15N], 0.8 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.0; pressure: 1 bar; temperature: 278 K

sample_conditions_2: ionic strength: 40 mM; pH: 6.0; pressure: 1 bar; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	anisotropic	sample_conditions_1
2D NOESY	sample_1	anisotropic	sample_conditions_2
2D 1H-13C HSQC	sample_2	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	anisotropic	sample_conditions_2
2D 1H-15N HSQC	sample_2	anisotropic	sample_conditions_2

Software:

TopSpin, Bruker Biospin - data analysis

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

NMRFAM-SPARKY, Lee, Tonelli and Markley - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz
Bruker AVANCE NEO 800 MHz