Crystal structure of a partly self-complementary peptide nucleic acid (PNA) oligomer showing a duplex-triplex network
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Crystal structure of a partly self-complementary peptide nucleic acid (PNA) oligomer showing a duplex-triplex network. / Petersson, Britt; Nielsen, Bettina Bryde; Rasmussen, Hanne; Larsen, Ingrid Kjøller; Gajhede, Michael; Nielsen, Peter E; Kastrup, Jette Sandholm Jensen.
In: Journal of the American Chemical Society, Vol. 127, No. 5, 09.02.2005, p. 1424-30.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Crystal structure of a partly self-complementary peptide nucleic acid (PNA) oligomer showing a duplex-triplex network
AU - Petersson, Britt
AU - Nielsen, Bettina Bryde
AU - Rasmussen, Hanne
AU - Larsen, Ingrid Kjøller
AU - Gajhede, Michael
AU - Nielsen, Peter E
AU - Kastrup, Jette Sandholm Jensen
PY - 2005/2/9
Y1 - 2005/2/9
N2 - The X-ray structure of a partly self-complementary peptide nucleic acid (PNA) decamer (H-GTAGATCACT-l-Lys-NH(2)) to 2.60 A resolution is reported. The structure is mainly controlled by the canonical Watson-Crick base pairs formed by the self-complementary stretch of four bases in the middle of the decamer (G(4)A(5)T(6)C(7)). One right- and one left-handed Watson-Crick duplex are formed. The two PNA units C(9)T(10) change helical handedness, so that each PNA strand contains both a right- and a left-handed section. The changed handedness in C(9)T(10) allows formation of Hoogsteen hydrogen bonding between C(9)T(10) and G(4)A(5) of a PNA strand in an adjacent Watson-Crick double helix of the same handedness. Thereby, a PNA-PNA-PNA triplex is formed. The PNA unit A(3) forms a noncanonical base pair with A(8) in a symmetry-related strand of opposite handedness; the base pair is of the A-A reverse Hoogsteen type. The structural diversity of this PNA demonstrates how the PNA backbone is able to adapt to structures governed by the stacking and hydrogen-bonding interactions between the nucleobases. The crystal structure further shows how PNA oligomers containing limited sequence complementarity may form complex hydrogen-bonding networks.
AB - The X-ray structure of a partly self-complementary peptide nucleic acid (PNA) decamer (H-GTAGATCACT-l-Lys-NH(2)) to 2.60 A resolution is reported. The structure is mainly controlled by the canonical Watson-Crick base pairs formed by the self-complementary stretch of four bases in the middle of the decamer (G(4)A(5)T(6)C(7)). One right- and one left-handed Watson-Crick duplex are formed. The two PNA units C(9)T(10) change helical handedness, so that each PNA strand contains both a right- and a left-handed section. The changed handedness in C(9)T(10) allows formation of Hoogsteen hydrogen bonding between C(9)T(10) and G(4)A(5) of a PNA strand in an adjacent Watson-Crick double helix of the same handedness. Thereby, a PNA-PNA-PNA triplex is formed. The PNA unit A(3) forms a noncanonical base pair with A(8) in a symmetry-related strand of opposite handedness; the base pair is of the A-A reverse Hoogsteen type. The structural diversity of this PNA demonstrates how the PNA backbone is able to adapt to structures governed by the stacking and hydrogen-bonding interactions between the nucleobases. The crystal structure further shows how PNA oligomers containing limited sequence complementarity may form complex hydrogen-bonding networks.
KW - Base Pairing
KW - Crystallography, X-Ray
KW - Hydrogen Bonding
KW - Models, Molecular
KW - Peptide Nucleic Acids
U2 - 10.1021/ja0458726
DO - 10.1021/ja0458726
M3 - Journal article
C2 - 15686374
VL - 127
SP - 1424
EP - 1430
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
IS - 5
ER -
ID: 44730035