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. 2012 Oct 11;17(10):11947–11964. doi: 10.3390/molecules171011947

Table 2.

Direct and indirect base pair opening induced by DNA-DNA interactions. The star denotes the cytosine that makes an hydrogen bond with the inserted phosphate group.The # denotes a residue from a symmetry related molecule. The base-pairs represented in red are partially disrupted.

Space group Resol. Sequence Structural alteration
Base unstacking
Bdjb77 (286D) P31 2.5 5'-CC I I I CCCGG High propeller twist and buckle values (from C6-I15 to C8 I13) in front of inserted phosphate groups (Table 1)
3'-GGCCC I I I CC
Bd0015 (1QC1) H 3 2.5 5'-CCGCCGGCGG Alterations of base stacking along the whole structure (Table 1)
3'-GGCGGCCGCC
Bd0084 (1ZFG) P31 1.75 5'-CCGAGCTCGG Alterations of base stacking in front of the inserted phosphate groups (Table 1)
3'-GGCTCGAGCC
Direct base-pair opening
Bd0022 (1QP5) H 3 2.6 * * C3-G17(#): N4-O1P: 2.4 Å
C21-G17(#): N4-O1P: 3.3 Å
graphic file with name molecules-17-11947-i001.jpg C18-C20(#): N4-O1P: 2.9 Å
graphic file with name molecules-17-11947-i002.jpg
* * Shift of the base pairing in the major groove (Figure 5) from Inline graphic
Bdl035 (330D) H 3 2.7 5'-ACCGCCGGCGCC Normal base-pairing
3'-TGGCGGCCGCGG
Bd0076 (1ZEW) C2 2.25 graphic file with name molecules-17-11947-i004.jpg C12-G7(#): N4-O1P: 2.7 Å
Inline graphic: N4-O6: 4.0 Å
N3-N1: 3.3 Å
O2-N2: 2.7 Å
graphic file with name molecules-17-11947-i006.jpg Inline graphic: O4-N6: 3.6 Å
* N3-N1: 3.6 Å
A18-T15(#) N6-O1P: 6.9Å
Inline graphic: N6-O4 : 4.0 Å
N1-N3: 3.7 Å
Bd0028 (1ZFH) C2 2.5 5'-CCGCTAGCGG Normal base-pairing
3'-GGCGATCGCC
Bd0021 (1CW9) P212121 1.55 * C6-G10(#): N4-O1P: 3 Å
graphic file with name molecules-17-11947-i009.jpg Inline graphic: N4-O6: 7.0 Å
3'-GGTCCGGACC (2 mol/au: open and closed form)
Indirect base-pair opening
Bdf062 (206D) P6122 2.5 * C1-C8(#): N4-O1P: 3.3 Å
C10-A9(#): C6-O1P: 2.9 Å
graphic file with name molecules-17-11947-i011.jpg C5-O2P: 3.3 Å
Inline graphic: O4-N6: 4.7 Å
graphic file with name molecules-17-11947-i013.jpg O2-N6: 2.9 Å
Unstacking C1/G2/G3
Ud0029 (1P4Z) P6122 2 * C7-A6(#): N4-O1P: 3.0 Å
graphic file with name molecules-17-11947-i014.jpg N4-O6: 3.3 Å
graphic file with name molecules-17-11947-i015.jpg Inline graphic N6-O4: 3.8 Å
* N1-N3: 3.5 Å
Bd0068 (1S1K) P6122 1.9 5'-CCMGTACTGG Normal base-pairing
3'-GGTCATGMCC
M=1AP