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A quantum-chemical study of transition structures for enolization and oxygenation steps catalyzed by rubisco: on the role of magnesium and carbamylated Lys-201 in opening oxygen capture channel
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Physical Chemistry.
2000 (English)In: CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, Vol. 323, no 1-2, 29-34 Language: English p.Article in journal (Refereed) Published
Abstract [en]

Enolization and subsequent oxygenation transition structures are calculated as saddle points for a minimal model, isolated and with a magnesium coordination sphere. Only the magnesium-embedded enolization transition structure has a substrate dihedral O2-C

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2000. Vol. 323, no 1-2, 29-34 Language: English p.
Keyword [en]
MOLECULAR MECHANISM; RIBULOSE-1;5-BISPHOSPHATE CARBOXYLASE/OXYGENASE; RIBULOSE 1;5-BISPHOSPHATE; RHODOSPIRILLUM-RUBRUM; CRYSTAL-STRUCTURE; ENEDIOL MOIETY; SUBSTRATE; MODEL; CARBOXYLATION; BISPHOSPHATE
Identifiers
URN: urn:nbn:se:uu:diva-37091OAI: oai:DiVA.org:uu-37091DiVA: diva2:64990
Note
Addresses: Tapia O, Univ Uppsala, Dept Phys Chem, Box 532, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys Chem, S-75121 Uppsala, Sweden. Univ Jaume 1, Dept Ciencies Expt, Castello 12080, Spain.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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