title: Impact of the physical and chemical environment on the molecular structure of Coprinus cinereus peroxidase.
abstract: The structure of the peroxidase from Coprinus cinereus (CiP) has been determined in three different space groups and crystalline environments. Two of these are of the recombinant glycosylated form (rCiP), which crystallized in space groups P2(1)2(1)2(1) and C2. The third crystal form was obtained from a variant of CiP in which the glycosylation sites have been removed (rCiPON). It crystallizes in space group P2(1) with beta approximately 90 degrees; the structure was determined from room-temperature data and low-temperature data obtained from twinned crystals. Two independent molecules of CiP related by non-crystallographic symmetry are contained in the three crystal forms. The packing in the two structures of the glycosylated form of rCiP is closely related, but differs from the packing in the unglycosylated rCiPON. A database search based on small-molecule porphinato iron (III) complexes has been performed and related to observations of the spin states and coordination numbers of the iron ion. The room-temperature structures of CiP and one structure of the almost identical peroxidase from Arthromyces ramosus (ARP) have been used to identify 66 conserved water molecules and to assign a structural role to most of them.
authors.affiliation: Centre for Crystallographic Studies, Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.
authors.forename: Karen
authors.initials: K
authors.lastname: Houborg
authors.forename: Pernille
authors.initials: P
authors.lastname: Harris
authors.forename: Jens
authors.initials: J
authors.lastname: Petersen
authors.forename: Paul
authors.initials: P
authors.lastname: Rowland
authors.forename: Jens-Christian Navarro
authors.initials: JC
authors.lastname: Poulsen
authors.forename: Palle
authors.initials: P
authors.lastname: Schneider
authors.forename: Jesper
authors.initials: J
authors.lastname: Vind
authors.forename: Sine
authors.initials: S
authors.lastname: Larsen
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003080:Cold Temperature; D003302:Coprinus / Q000201:enzymology*; D003460:Crystallization; D018360:Crystallography, X-Ray; D004777:Environment; D006031:Glycosylation; D006418:Heme / Q000737:chemistry; D006860:Hydrogen Bonding; D008958:Models, Molecular; D010544:Peroxidases / Q000737:chemistry*; D011166:Porphyrins; D011487:Protein Conformation; D014867:Water / Q000737:chemistry; D014961:X-Ray Diffraction
chemical_list: D011166:Porphyrins; D014867:Water; D006418:Heme; D010544:Peroxidases