BMRB Entry 17409

Name: A biocompatible backbone modification? - Structure and dynamics of a triazole-linked DNA duplex
Published: 2012-01-05

Click here to enlarge.

PDB ID: 2l8i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17409
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:

A biocompatible backbone modification? - Structure and dynamics of a triazole-linked DNA duplex

Deposition date:

2011-01-13

Original release date:

2012-01-05

Authors:

El-Sagheer, Afaf; Brown, Tom; Ernsting, Nikolaus P.; Dehmel, Lars; Griesinger, Christian; M gge, Clemens

Citation:

Citation: Dallmann, Andre; El-Sagheer, Afaf; Dehmel, Lars; Muegge, Clemens; Griesinger, Christian; Ernsting, Nikolaus; Brown, Tom. "Structure and Dynamics of Triazole-Linked DNA: Biocompatibility Explained" Chemistry 17, 14714-14717 (2011).
PubMed: 22131102

Assembly members:

Assembly members:
DNA_strand_I, polymer, 13 residues, Formula weight is not available
DNA_strand_II, polymer, 13 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA_strand_I: GCTGCAAACGTCG
DNA_strand_II: CGACGTXTGCAGC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	94
1H chemical shifts	212

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA_strand_I	1
2	DNA_strand_II	2

Entities:

Entity 1, DNA_strand_I 13 residues - Formula weight is not available

1

DG

DC

DT

DG

DC

DA

DC

DG

2

DT

DC

DG

Entity 2, DNA_strand_II 13 residues - Formula weight is not available

X=residue containing triazole linkage

1

DC

DG

DA

DC

DG

DT

TAL

DT

DG

DC

2

DA

DG

DC

Samples:

D2O: DNA strand I 3 mM; DNA strand II 3 mM; D2O, [U-100% 2H], 99.98%; sodium chloride 150 mM; sodium phosphate 10 mM

H2O: DNA strand I 3 mM; DNA strand II 3 mM; D2O, [U-99% 2H], 10%; H2O 90%; sodium chloride 150 mM; sodium phosphate 10 mM

D2O_Pf1: DNA strand I 3 mM; DNA strand II 3 mM; D2O, [U-100% 2H], 99.98%; Pf1 phage 20 mg/ml; sodium chloride 150 mM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	D2O	isotropic	sample_conditions_1
2D 1H-1H NOESY	D2O	isotropic	sample_conditions_1
2D 1H-1H TOCSY	D2O	isotropic	sample_conditions_1
2D 1H-13C HMQC	D2O	isotropic	sample_conditions_1
2D 1H-13C HMQC	D2O_Pf1	isotropic	sample_conditions_1
2D 1H-1H NOESY	H2O	isotropic	sample_conditions_1

Software:

CARA v1.84, Keller and Wuthrich - chemical shift assignment, peak picking

TOPSPIN v2.1, Bruker Biospin - collection, processing

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

Bruker Avance 600 MHz