title: A molecular orbital study of a model of the Mg2+ coordination complex of the self splicing reaction of ribosomal RNA.
abstract: Recent discoveries have established the fact that RNA is capable of acting as an enzyme.  In this study two different types of molecular orbital calculations, INDO and ab initio, were used in an attempt to assess the structural/functional role of the Mg2+ hydrated complex in ribozyme reactions.  Preliminary studies indicate that the reaction is multistep and that the Mg2+ complex exerts a stabilizing effect on the intermediate or midpoint of the reaction.
authors.affiliation: Chemistry Department, State University of New York at Buffalo 14214, USA.
authors.forename: M
authors.initials: M
authors.lastname: McCourt
authors.forename: M
authors.initials: M
authors.lastname: Shibata
authors.forename: J W
authors.initials: JW
authors.lastname: McIver
authors.forename: R
authors.initials: R
authors.lastname: Rein
mesh_terms: D017616:Magnesium Compounds / Q000737:chemistry*; D008958:Models, Molecular; D010100:Oxygen / Q000737:chemistry; D012326:RNA Splicing; D016337:RNA, Catalytic / Q000737:chemistry / Q000502:physiology*; D012335:RNA, Ribosomal / Q000737:chemistry / Q000502:physiology*; D014867:Water / Q000737:chemistry
chemical_list: D017616:Magnesium Compounds; D016337:RNA, Catalytic; D012335:RNA, Ribosomal; D014867:Water; D010100:Oxygen