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Titolo:
Contribution of cation-pi interactions to the stability of protein-DNA complexes
Autore:
Wintjens, R; Lievin, J; Rooman, M; Buisine, E;
Indirizzi:
Univ Lille 2, CNRS UMR 8525, Inst BIol Lille, Inst Pasteur Lille, F-59021 Lille, France Univ Lille 2 Lille France F-59021 t Pasteur Lille, F-59021 Lille, France Free Univ Brussels, Lab Chim Phys Mol, B-1050 Brussels, Belgium Free Univ Brussels Brussels Belgium B-1050 Mol, B-1050 Brussels, Belgium
Titolo Testata:
JOURNAL OF MOLECULAR BIOLOGY
fascicolo: 2, volume: 302, anno: 2000,
pagine: 395 - 410
SICI:
0022-2836(20000915)302:2<395:COCITT>2.0.ZU;2-E
Fonte:
ISI
Lingua:
ENG
Soggetto:
AMINO-AROMATIC INTERACTIONS; MOLECULAR-ORBITAL METHODS; NONEMPIRICAL AB-INITIO; BASE STACKING; INTERMOLECULAR INTERACTIONS; BENZENE; RECOGNITION; ENERGETICS; ENERGIES; BINDING;
Keywords:
ab initio calculations; quantum mechanics; protein-DNA recognition; analyses of X-ray structures;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Citazioni:
60
Recensione:
Indirizzi per estratti:
Indirizzo: Buisine, E Univ Lille 2, CNRS UMR 8525, Inst BIol Lille, Inst Pasteur Lille, 1 Rue Professeur Calmette,BP 447, F-59021 Lille, France Univ Lille 2 1 Rue Professeur Calmette,BP 447 Lille France F-59021
Citazione:
R. Wintjens et al., "Contribution of cation-pi interactions to the stability of protein-DNA complexes", J MOL BIOL, 302(2), 2000, pp. 395-410

Abstract

Cation-pi interactions between an aromatic ring and a positive charge located above it have proven to be important in protein structures and biomolecule associations. Here, the role of these interactions at the interface of protein-DNA complexes is investigated, by means of nb initio quantum mechanics energy calculations and X-ray structure analyses. Ab initio energy calculations indicate that Na ions and DNA bases can form stable cation-pi complexes, whose binding strength strongly depends on the type of base, on the position of the Na ion, and whether the base is isolated or included in a double-stranded B-DNA. A survey of protein-DNA complex structures using appropriate geometrical criteria revealed cation-pi interactions in 71% of the complexes. More than half of the cation-pi pairs involve arginine residues,about one-third asparagine or glutamine residues that only carry a partialcharge, and one-seventh lysine residues. The most frequently observed pair, which is also the most stable as monitored by ab initio energy calculations, is arginine-guanine. Arginine-adenine interactions are also favorable in general, although to a lesser extent, whereas those with thymine and cytosine are not. Our calculations show that the major contribution to cation-pi interactions with DNA bases is of electrostatic nature. These interactions often occur concomitantly with hydrogen bonds with adjacent bases; their strength is estimated to be from three to four times lower than that of hydrogen bonds. Finally, the role of cation-pi interactions in the stability and specificity of protein-DNA complexes is discussed. (C) 2000 Academic Press.

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Documento generato il 21/09/20 alle ore 12:53:26