BMRB: 36020

Structure of two CCTG repeats

Authors

Guo, P., Lam, S.L.

Assembly

DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3')

Entity

1. DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3') (polymer, Thiol state: not present), 8 monomers, 2441.539 Da Detail

CCTGCCTG

2. SODIUM ION (non-polymer), 22.990 × 7 Da

Total weight

2602.469 Da

Max. entity weight

2441.539 Da

Entity Connection

metal coordination 15 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:DC2:OP2	2:NA1:NA
2	metal coordination	sing	1:DT3:OP1	2:NA1:NA
3	metal coordination	sing	1:DT3:OP2	2:NA1:NA
4	metal coordination	sing	1:DG4:OP1	2:NA1:NA
5	metal coordination	sing	1:DG4:OP2	2:NA1:NA
6	metal coordination	sing	1:DC5:OP1	2:NA1:NA
7	metal coordination	sing	1:DC6:OP1	2:NA1:NA
8	metal coordination	sing	1:DC6:OP2	2:NA1:NA
9	metal coordination	sing	1:DC6:O2	2:NA1:NA
10	metal coordination	sing	1:DT7:OP1	2:NA1:NA
11	metal coordination	sing	1:DT7:OP2	2:NA1:NA
12	metal coordination	sing	1:DT7:O2	2:NA1:NA
13	metal coordination	sing	1:DG8:OP1	2:NA1:NA
14	metal coordination	sing	1:DG8:OP2	2:NA1:NA
15	metal coordination	sing	1:DG8:O6	2:NA1:NA

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.1 %, Completeness (bb): 100.0 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	95.1 % (78 of 82)	95.1 % (78 of 82)
Suger, PO4	100.0 % (56 of 56)	100.0 % (56 of 56)
Nucleobase	84.6 % (22 of 26)	84.6 % (22 of 26)
Aromatic	100.0 % (16 of 16)	100.0 % (16 of 16)
Methyl	100.0 % (2 of 2)	100.0 % (2 of 2)

1. DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3')

CCTGCCTG

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0, Details 1.0mM DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3'), 10mM sodium phosphate, 0.1mM DSS, 100% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3')	natural abundance	DNA	1.0 mM
2	DSS	natural abundance		0.1 mM
3	sodium phosphate	natural abundance	buffer	10 mM
4	D2O	[U-2H]	solvent	100 %

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Release date

2016-11-02

Citation

Minidumbbell: A New Form of Native DNA Structure
Guo, P., Lam, S.L.
J. Am. Chem. Soc. (2016), 138, 12534-12540, PubMed 27589409 , DOI 10.1021/jacs.6b06897 , Abstract

Experiments performed 2 experiments Detail