BMRB Entry 5671

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PDB ID: 1naj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5671
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:

Overall structure and sugar dynamics of a DNA dodecamer from homo and heteronuclear dipolar couplings and 31P chemical shift anisotropy

Deposition date:

2003-01-23

Original release date:

2003-11-11

Authors:

Zhengrong, W.; Delaglio, F.; Tjandra, N.; Zhurkin, V.; Bax, A.

Citation:

Citation: Wu, Z.; Delaglio, F.; Tjandra, N.; Zhurkin, V.; Bax, A.. "Overall Structure and Sugar Dynamics of a DNA Dodecamer from Homo- and Heteronuclear Dipolar Couplings and 31P Chemical Shift Anisotropy" J. Biomol. NMR 26, 297-315 (2003).
PubMed: 12815257

Assembly members:

Assembly members:
Dodecamer, polymer, 12 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):
Dodecamer: CGCGAATTCGCG

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2
coupling_constants
- coupling_constants_set_1
- coupling_constants_set_2
RDCs
- residual_dipolar_couplings_1
- residual_dipolar_couplings_2

Data type	Count
31P chemical shifts	22
coupling constants	22
residual dipolar couplings	636

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Dodecamer, chain A	1
2	Dodecamer, chain B	1

Entities:

Entity 1, Dodecamer, chain A 12 residues - Formula weight is not available

1

DC

DG

DC

DG

DA

DT

DC

DG

2

DC

DG

Samples:

sample_1: Dodecamer 0.5 mM; sodium phosphate 40 mM; NaN3 0.04%; DMPC/DHPC/CTAB (30/10/1) 5%; D2O 100%

sample_2: Dodecamer, [U-13C; U-15N], 0.5 mM; sodium phosphate 40 mM; NaN3 0.04%; pf1 phage 20 mg/mL; D2O 10%; H2O 90%

sample_cond_1: ionic strength: 40 mM; pH: 7.0; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
H-31P-HSQC	not available	not available	sample_cond_1
HP-ctNOESY-DIF COSY	not available	not available	sample_cond_1
COSY	not available	not available	sample_cond_1
2D NOESY	not available	not available	sample_cond_1
13C-HSQC-J-MODULATED	not available	not available	sample_cond_1
3C-HSQC-F1-COUPLED	not available	not available	sample_cond_1
15N-HSQC-F1-COUPLED	not available	not available	sample_cond_1

Software:

NMRPipe v1.7 REV 1999.039.11.31 - data analysis

xwinnmr v2.4 and 2.6 - collection

X-PLOR v3.841 - refinement

CosyView - data analysis

NMR spectrometers:

Bruker AVANCE 800 MHz