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Titolo:
STEREOCHEMISTRY OF CHARGED NITROGEN AROMATIC INTERACTIONS AND ITS INVOLVEMENT IN LIGAND RECEPTOR-BINDING
Autore:
VERDONK ML; BOKS GJ; KOOIJMAN H; KANTERS JA; KROON J;
Indirizzi:
UNIV UTRECHT,BIJVOET CTR BIOMOLEC RES,DEPT CRYSTAL & STRUCT CHEM,PADUALAAN 8 3584 CH UTRECHT NETHERLANDS
Titolo Testata:
Journal of computer-aided molecular design
fascicolo: 2, volume: 7, anno: 1993,
pagine: 173 - 182
SICI:
0920-654X(1993)7:2<173:SOCNAI>2.0.ZU;2-E
Fonte:
ISI
Lingua:
ENG
Soggetto:
SITE-DIRECTED MUTAGENESIS; ACETYLCHOLINE-BINDING; IDENTIFICATION; PROTEIN; MODEL;
Keywords:
CRYSTAL-STRUCTURE STATISTICS; LIGAND RECEPTOR COMPLEXES; GEOMETRICAL ANALYSIS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
20
Recensione:
Indirizzi per estratti:
Citazione:
M.L. Verdonk et al., "STEREOCHEMISTRY OF CHARGED NITROGEN AROMATIC INTERACTIONS AND ITS INVOLVEMENT IN LIGAND RECEPTOR-BINDING", Journal of computer-aided molecular design, 7(2), 1993, pp. 173-182

Abstract

Recently, new evidence was found for the involvement of charged nitrogen-aromatic interactions in ligand-receptor binding. In this study wereport two favourable orientations of a phenyl ring with respect to aR-N+(CH3)3 group, based on crystal structure statistics from the Cambridge Structural Database. In the first orientation, the phenyl ring is situated in between the substituents at about 4.5 angstrom from the nitrogen atom, and the ring is approximately oriented on the sphere around the nitrogen atom. In the second orientation, the phenyl ring is situated in the same direction as one of the N-C bonds at about 6.0 angstrom from the nitrogen atom, and the ring is tilted with respect to the sphere around the nitrogen atom. The same two orientations were also found in the crystal structures of three ligand-receptor complexes,which implies that these orientations probably play a major role in molecular recognition mechanisms.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 16/07/20 alle ore 06:17:07