BMRB Entry 5164

Name: NMR Structure of a Parallel Stranded DNA Duplex at Atomic Resolution
Published: 2002-08-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5164

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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: NMR Structure of a Parallel Stranded DNA Duplex at Atomic Resolution PubMed: 11917010

Deposition date: 2001-10-03 Original release date: 2002-08-23

Authors: Parvathy, V.; Bhaumik, S.; Chary, K.; Govil, G.; Liu, K.; Howard, F.; Miles, H.

Citation: Parvathy, V.; Bhaumik, S.; Chary, K.; Govil, G.; Liu, K.; Howard, F.; Miles, H.. "NMR Structure of a Parallel-stranded DNA Duplex at Atomic Resolution" Nucleic Acids Res. 30, 1500-1511 (2002).

Assembly members:
5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3', polymer, 12 residues, Formula weight is not available
5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3', polymer, 12 residues, Formula weight is not available

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

Experimental source: Production method: .

Entity Sequences (FASTA):
5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3': CCATAATTTACC
5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3': CCTAAATTATCC

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	232

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	5'-D(PCPCPAPTPAPAPTPTPTPAPCPC)-3'	1
2	5'-D(PCPCPTPAPTPTPAPAPAPTPCPC)-3'	2

Entities:

Entity 1, 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3' 12 residues - Formula weight is not available

1

DC

DA

DT

DA

DT

DA

2

DC

Entity 2, 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3' 12 residues - Formula weight is not available

1

DC

DT

DA

DT

DA

DT

2

DC

Samples:

sample_1: 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3' 5 mM; 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3' 5 mM; sodium acetate buffer, [U-2H], 0.05 M; NaCl 0.1 M; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 0.15 M; pH: 5.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
COSY	sample_1	not available	sample_cond_1
NOESY	sample_1	not available	sample_cond_1
TOCSY	sample_1	not available	sample_cond_1

Software:

DISCOVER v3.1 - refinement, structure solution

NMR spectrometers:

Varian UNITY 600 MHz