Protein and Drug Interactions in the Minor Groove of DNA
1.
SYSNO ASEP
0181563
Document Type
J - Journal Article
R&D Document Type
Journal Article
Subsidiary J
Ostatní články
Title
Protein and Drug Interactions in the Minor Groove of DNA
Author(s)
Morávek, Z. (CZ) Neidle, S. (GB) Schneider, Bohdan (UFCH-W)
Source Title
Nucleic Acids Research. - : Oxford University Press
- ISSN 0305-1048
Roč. 30, č. 5 (2002), s. 1182-1191
Number of pages
10 s.
Language
eng - English
Country
GB - United Kingdom
Keywords
protein ; DNA ; interactions
Subject RIV
CF - Physical ; Theoretical Chemistry
R&D Projects
LN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ
AV0Z4040901 - UFCH-W
Annotation
Interactions between proteins, drugs, water and B-DNA minor groove have been analyzed in crystal structures of 60 protein-DNA and 14 drug-DNA complexes. It was found that only purine N3, pyrimidine O2, guanine N2 and deoxyribose O4'' are involved in the interactions, and that contacts to N3 and O2 are most frequent and more polar than contacts to O4''. Many protein contacts are mediated by water, possibly to increase the DNA effective surface. Fewer water-mediated contacts are observed in drug complexes. The distributions of ligands around N3 are significantly more compact than around O2, and distributions of water molecules are the most compact. Distributions around O4'' are more diffuse than for the base atoms but most distributions still have just one binding site. Ligands bind to N3 and O2 atoms in analogous positions, and simultaneous binding to N3 and N2 in guanines is extremely rare. Contacts with two consecutive nucleotides are much more frequent than base-sugar.
