BMRB Entry 18907

Name: Solution structure of Duplex DNA
Published: 2013-01-11

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PDB ID: 2m2c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18907
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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:

Solution structure of Duplex DNA

Deposition date:

2012-12-18

Original release date:

2013-01-11

Authors:

Ghosh, A.; Kar, R.; Jana, J.; Biswas, A.; Ghosh, S.; Kumar, D.; Chatterjee, S.; Bhunia, A.

Citation:

Citation: Ghosh, A.; Kar, R.; Jana, J.; Biswas, A.; Ghosh, S.; Kumar, D.; Chatterjee, S.; Bhunia, A.. "Structural Insights of DNA Duplex Stabilization by Potent Antimicrobial Peptide Indolicidin." .

Assembly members:

Assembly members:
DNA_GCGCATGCTACGCG, polymer, 14 residues, 3952.606 Da.
DNA_CGCGTAGCATGCGC, polymer, 14 residues, 3952.606 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: Chemically synthetic DNA Host organism: Chemically synthetic DNA

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA_GCGCATGCTACGCG: GCGCATGCTACGCG
DNA_CGCGTAGCATGCGC: CGCGTAGCATGCGC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	225

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GCGCATGCTACGCG	1
2	CGCGTAGCATGCGC	2

Entities:

Entity 1, GCGCATGCTACGCG 14 residues - 3952.606 Da.

1

DG

DC

DG

DC

DA

DT

DG

DC

DT

DA

2

DC

DG

DC

DG

Entity 2, CGCGTAGCATGCGC 14 residues - 3952.606 Da.

1

DC

DG

DC

DG

DT

DA

DG

DC

DA

DT

2

DG

DC

DG

DC

Samples:

sample_1: GCGCATGCTACGCG 1 mM; CGCGTAGCATGCGC 1 mM

sample_conditions_1: pH: 7.2; temperature: 298 K

Experiments:

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

Software:

AMBER v2.1, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

Bruker Avance 500 MHz
Bruker DRX 800 MHz