Crystal structure of a calcium(II)–pyrrolo­quinoline quinone (PQQ) complex outside a protein environment1

Autor: Lumpe, Henning, Mayer, Peter, Daumann, Lena J.
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Zdroj: Acta Crystallographica. Section C, Structural Chemistry
ISSN: 2053-2296
Popis: Pyrrolo­quinoline quinone (PQQ) is an important cofactor of calcium- and lanthanide-dependent alcohol de­hydrogenases. The crystal structure of a Ca–PQQ com­plex (Ca3PQQ2·13H2O) is reported for the first time outside a protein environment.
Pyrrolo­quinoline quinone (PQQ) is an important cofactor of calcium- and lanthanide-dependent alcohol de­hydrogenases, and has been known for over 30 years. Crystal structures of Ca–MDH enzymes (MDH is methanol de­hydrogenase) have been known for some time; however, crystal structures of PQQ with biorelevant metal ions have been lacking in the literature for decades. We report here the first crystal structure analysis of a Ca–PQQ com­plex outside the protein environment, namely, poly[[undeca­aqua­bis­(μ-4,5-dioxo-4,5-di­hydro-1H-pyrrolo­[2,3-f]quinoline-2,7,9-tri­carboxyl­ato)tricalcium(II)] dihydrate], {[Ca3(C14H3N2O8)2(H2O)11]·2H2O}n. The com­plex crystallized as Ca3PQQ2·13H2O with Ca2+ in three different positions and PQQ3−, including an extensive hydrogen-bond network. Similarities and differences to the recently reported structure with biorelevant europium (Eu2PQQ2) are discussed.
Databáze: OpenAIRE
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