BMRB Entry 25099

Name: Dimeric structure of the Human A-box
Published: 2015-06-01

Click here to enlarge.

PDB ID: 2mrz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25099
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
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: Dimeric structure of the Human A-box PubMed: 26013031

Deposition date: 2014-07-18 Original release date: 2015-06-01

Authors: Garavis, Miguel; Escaja, Nuria; Gabelica, Valerie; Villasante, Alfredo; Gonzalez, Carlos

Citation: Garavis, Miguel; Escaja, Nuria; Gabelica, Valerie; Villasante, Alfredo; Gonzalez, Carlos. "Centromeric Alpha-Satellite DNA Adopts Dimeric i-Motif Structures Capped by AT Hoogsteen Base Pairs" Chemistry ., .-. (2015).

Assembly members:
DNA_(5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3'), polymer, 10 residues, 2945.966 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: obtained from a vendor

Entity Sequences (FASTA):
DNA_(5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3'): TCCTTTTCCA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	100

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA (5'-D(PTPCPCPTPTPTPTPCPCPA)-3')_1	1
2	DNA (5'-D(PTPCPCPTPTPTPTPCPCPA)-3')_2	1

Entities:

Entity 1, DNA (5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3')_1 10 residues - 2945.966 Da.

1

DT

DC

DT

DC

DA

Samples:

Hs2: sodium phosphate 25 mM; sodium chloride 100 mM; DNA_(5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3') 2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 125 mM; pH: 4; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	Hs2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	Hs2	isotropic	sample_conditions_1
2D 1H-1H COSY	Hs2	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Bruker Avance 600 MHz