title: Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
abstract: Native N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus (Pf-Dac) and its selenomethionine derivative (Se-Pf-Dac) were crystallized and analyzed in the presence and absence of cadmium ion. The four crystal structures fell into three different crystal-packing groups, with the cadmium-free Pf-Dac and Se-Pf-Dac belonging to the same space group, with homologous unit-cell parameters. The crystal structures in the presence of cadmium contained distorted octahedral cadmium complexes coordinated by three chlorides, two O atoms and an S or Se atom from the N-terminal methionine or selenomethionine, respectively. The N-terminal cadmium complex was involved in crystal contacts between symmetry-related molecules through hydrogen bonding to the N-termini. While all six N-termini of Se-Pf-Dac were involved in cadmium-complex formation, only two of the Pf-Dac N-termini participated in complex formation in the Cd-containing crystal, resulting in different crystal forms. These differences are discussed in light of the higher stability of the Cd-Se bond than the Cd-S bond. This work provides an example of the contribution of cadmium towards determining protein crystal quality and packing depending on the use of the native protein or the selenomethionine derivative.
authors.affiliation: National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka 563-8577, Japan.
authors.forename: Tsutomu
authors.initials: T
authors.lastname: Nakamura
authors.affiliation: National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka 563-8577, Japan.
authors.forename: Mayumi
authors.initials: M
authors.lastname: Niiyama
authors.affiliation: National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka 563-8577, Japan.
authors.forename: Wakana
authors.initials: W
authors.lastname: Hashimoto
authors.affiliation: National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka 563-8577, Japan.
authors.forename: Kurumi
authors.initials: K
authors.lastname: Ida
authors.affiliation: Graduate School of Science, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8526, Japan.
authors.forename: Manabu
authors.initials: M
authors.lastname: Abe
authors.affiliation: Faculty of Human Life and Science, Doshisha Women's College of Liberal Arts, Kyoto 602-0893, Japan.
authors.forename: Junji
authors.initials: J
authors.lastname: Morita
authors.affiliation: National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka 563-8577, Japan.
authors.forename: Koichi
authors.initials: K
authors.lastname: Uegaki
mesh_terms: D000581:Amidohydrolases / Q000737:chemistry* / Q000235:genetics; D019843:Archaeal Proteins / Q000737:chemistry* / Q000235:genetics; D002104:Cadmium / Q000737:chemistry; D002413:Cations, Divalent; D003460:Crystallization; D018360:Crystallography, X-Ray; D004187:Disaccharides / Q000737:chemistry*; D004926:Escherichia coli / Q000235:genetics / Q000378:metabolism; D015870:Gene Expression; D006860:Hydrogen Bonding; D008958:Models, Molecular; D020027:Pyrococcus furiosus / Q000737:chemistry* / Q000201:enzymology; D011994:Recombinant Proteins / Q000737:chemistry / Q000235:genetics; D012643:Selenium / Q000737:chemistry; D012645:Selenomethionine / Q000737:chemistry; D055672:Static Electricity; D013455:Sulfur / Q000737:chemistry
chemical_list: D019843:Archaeal Proteins; D002413:Cations, Divalent; D004187:Disaccharides; D011994:Recombinant Proteins; D002104:Cadmium; C010913:N,N-diacetylchitobiose; D013455:Sulfur; D012645:Selenomethionine; D000581:Amidohydrolases; D012643:Selenium
keywords: N,N′-diacetylchitobiose deacetylase; cadmium complex; crystal-packing interaction; selenomethionine