An exploratory study of side-chain-backbone interaction in selected conformations of N-acetyl-L-glutamate-N-methylamide. An ab initio study

Authors
Masman, MF Amaya, MG Rodriguez, AM Suvire, FD Chasse, GA Farkas, O Perczel, A Enriz, RD
Citation
Mf. Masman et al., An exploratory study of side-chain-backbone interaction in selected conformations of N-acetyl-L-glutamate-N-methylamide. An ab initio study, J MOL ST-TH, 543, 2001, pp. 203-222
Citations number
30
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
543
Year of publication
2001
Pages
203 - 222
Database
ISI
SICI code
0166-1280(20010622)543:<203:AESOSI>2.0.ZU;2-5
Abstract
The Ramachandran map of N-acetyl-L-glutamate-N-methylamide has been explore d using a, a side-chain (SC) conformation. Also, with fixed backbone (BB) c onformations (gamma (L) and beta (L)) the SC conformational potential energ y surfaces were studied. The relative stabilities of the various conformers were analysed in terms of SC-BE interactions. The dynamic chirality of the glutamate SC was investigated and compared to that of the butyrate ion. (C ) 2001 Elsevier Science B.V. All rights reserved.