BMRB: 25882

Structural basis for DNA cleavage by the potent antiproliferative agent (-)-lomaiviticin A

Authors

Woo, C.M., Li, Z., Paulson, E., Herzon, S.B.

Assembly

dsDNA-lomaiviticin A complex

Entity

1. DNA (5'-D(*GP*CP*TP*AP*TP*AP*GP*CP)-3') (polymer, Thiol state: not present), 8 monomers, 2489.589 × 2 Da Detail

GCTATAGC

2. (1R,1'R,2S,2'S,3R,3'R,5a'R,10a'R,11aS)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}-2,2',3,3',4,4',5,5',5a',8',10,10',10a',11a-tetradecahydro-1H,1'H-3,3'-bibenzo[b]fluoren-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside (non-polymer), 1375.468 Da

Total weight

6354.6465 Da

Max. entity weight

2489.589 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

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

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	100.0 % (78 of 78)	100.0 % (78 of 78)
Suger, PO4	100.0 % (56 of 56)	100.0 % (56 of 56)
Nucleobase	100.0 % (22 of 22)	100.0 % (22 of 22)
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(*GP*CP*TP*AP*TP*AP*GP*CP)-3')

GCTATAGC

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 297 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DNA (5'-D(*GP*CP*TP*AP*TP*AP*GP*CP))-3')	natural abundance	DNA	2.2 uM
2	lomaiviticin A	natural abundance		1.1 uM
3	sodium phospate	natural abundance	buffer	10 mM
4	sodium chloride	natural abundance	salt	25 mM
5	D2O	[U-2H]	solvent	100 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 297 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
6	DNA (5'-D(*GP*CP*TP*AP*TP*AP*GP*CP))-3')	natural abundance	DNA	2.2 uM
7	lomaiviticin A	natural abundance		1.1 uM
8	sodium phospate	natural abundance	buffer	10 mM
9	sodium chloride	natural abundance	salt	25 mM
10	H2O	natural abundance	solvent	90 %
11	D2O	[U-2H]	solvent	10 %

Hide sample codition

Release date

2016-05-30

Citation

Structural basis for DNA cleavage by the potent antiproliferative agent (-)-lomaiviticin A
Woo, C.M., Li, Z., Paulson, E., Herzon, S.B.
Proc. Natl. Acad. Sci. U. S. A. (2016), 113, 2851-2856, PubMed 26929332 , DOI 10.1073/pnas.1519846113 , Abstract

Experiments performed 6 experiments Detail