Molecular mechanics studies concerning adenosin-5 '-triphosphate (ATP). 1 - The phosphoryl transfer reaction

Authors
Donescu, A Weinberg, J Sahini, VE Lerner, D
Citation
A. Donescu et al., Molecular mechanics studies concerning adenosin-5 '-triphosphate (ATP). 1 - The phosphoryl transfer reaction, REV RO CHIM, 44(4), 1999, pp. 413-421
Citations number
35
Categorie Soggetti
Chemistry
Journal title
REVUE ROUMAINE DE CHIMIE
ISSN journal
00353930 → ACNP
Volume
44
Issue
4
Year of publication
1999
Pages
413 - 421
Database
ISI
SICI code
0035-3930(199904)44:4<413:MMSCA'>2.0.ZU;2-B
Abstract
Allinger MMX molecular mechanics program was used to model the enzyme-subst rate interaction, as well as the phosphoryl transfer in the creatine-kinase -ATP-creatine: system. The obtained data suggest the orientation of the sys tem towards a mainly SN 2 phosphoryl transfer mechanism.