BMRB Entry 18985

Name: DNA containing a cluster of 8-oxo-guanine and abasic site lesion : beta anomer (6AP, 8OG14)
Published: 2014-01-06

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PDB ID: 2m44
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18985
MolProbity Validation Chart

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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:

DNA containing a cluster of 8-oxo-guanine and abasic site lesion : beta anomer (6AP, 8OG14)

Deposition date:

2013-01-29

Original release date:

2014-01-06

Authors:

Zalesak, Jan; Jourdan, Muriel; Constant, Jean-Francois; Lourdin, Morgane

Citation:

Citation: Zaleak, Jan; Lourdin, Morgane; Krej, Lumr; Constant, Jean-Francois; Jourdan, Muriel. "Structure and dynamics of DNA duplexes containing a cluster of mutagenic 8-oxoguanine and abasic site lesions." J. Mol. Biol. 426, 1524-1538 (2014).
PubMed: 24384094

Assembly members:

Assembly members:
DNA_1, polymer, 11 residues, 2965.968 Da.
not present, polymer, 11 residues, 3471.274 Da.

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_1: CGCTCXCACGC
not present: GCXTGGGAGCG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	182
31P chemical shifts	20

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA_1	1
2	DNA_2	2

Entities:

Entity 1, DNA_1 11 residues - 2965.968 Da.

1

DC

DG

DC

DT

DC

ORP

DC

DA

DC

DG

2

DC

Entity 2, DNA_2 11 residues - 3471.274 Da.

1

DG

DC

8OG

DT

DG

DA

DG

DC

2

DG

Samples:

sample_1: DNA_1 0.88 mM; DNA_2 0.88 mM; D2O 0.88 mM

sample_conditions_1: ionic strength: 120 mM; pH: 6; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Varian UnityPlus 500 MHz