BMRB Entry 19745

Name: Solution NMR structure of a mismatch DNA
Published: 2014-03-03

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PDB ID: 2mjx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19745
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of a mismatch DNA

Deposition date:

2014-01-21

Original release date:

2014-03-03

Authors:

Ghosh, Anirban; Kar, Rajiv; Bhunia, Anirban; Chatterjee, Subhrangsu

Citation:

Citation: Ghosh, Anirban; Kar, Rajiv; Chatterjee, Subhrangsu; Bhunia, Anirban. "Solution NMR structure of mismatch DNA" .

Assembly members:

Assembly members:
DNA_(28-MER)_1, polymer, 14 residues, 8608.586 Da.
DNA_(28-MER)_2, polymer, 14 residues, 8608.586 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_(28-MER)_1: GCGCATGCTACGCG
DNA_(28-MER)_2: CGCGTACGATGCGC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	212

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA (28-MER), 1	1
2	DNA (28-MER), 2	2

Entities:

Entity 1, DNA (28-MER), 1 14 residues - 8608.586 Da.

1

DG

DC

DG

DC

DA

DT

DG

DC

DT

DA

2

DC

DG

DC

DG

Entity 2, DNA (28-MER), 2 14 residues - 8608.586 Da.

1

DC

DG

DC

DG

DT

DA

DC

DG

DA

DT

2

DG

DC

DG

DC

Samples:

sample_1: DNA (28-MER) 1 1 mM; D2O 90%; H2O 10%; DNA (28-MER) 2 1 mM

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

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

NMR spectrometers:

Bruker DRX 500 MHz