BMRB Entry 4409

Name: DNA DECAMER DUPLEX CONTAINING T-T DEWAR PHOTOPRODUCT
Published: 2000-12-15

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PDB ID: 1qkg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4409
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 DECAMER DUPLEX CONTAINING T-T DEWAR PHOTOPRODUCT

Deposition date:

1999-09-16

Original release date:

2000-12-15

Authors:

Lee, J.; Bae, S.; Choi, B.

Citation:

Citation: Lee, J.; Bae, S.; Choi, B.. "The Dewar Photoproduct of the Thymidylyl(3' to 5')-thymidine (Dewar Product) Exhibits Mutagenic Behavior in Accordance with the "A rule"" Proc. Natl. Acad. Sci. U. S. A. 97, 4591-4596 (2000).
PubMed: 10758155

Assembly members:

Assembly members:
DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)- 3'), polymer, 10 residues, Formula weight is not available
DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3'), polymer, 10 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)- 3'): CGCAXXACGC
DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3'): GCGTGATGCG

Data sets:

assigned_chemical_shifts
- chem_shift_set_1
- chem_shift_set_2

Data type	Count
1H chemical shifts	163

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA-DECAMER strand-1	1
2	DNA-DECAMER strand-2	2

Entities:

Entity 1, DNA-DECAMER strand-1 10 residues - Formula weight is not available

1

DC

DG

DC

DA

64T

TA3

DA

DC

DG

DC

Entity 2, DNA-DECAMER strand-2 10 residues - Formula weight is not available

1

DG

DC

DG

DT

DG

DA

DT

DG

DC

DG

Samples:

sample_1: DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)- 3') 1.0 mM; DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3') 1.0 mM

sample_cond_1: pH: 6.6; temperature: 274.0 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	sample_cond_1

Software:

XWINNMR -

NMR spectrometers:

Bruker DMX 600 MHz