title: Design and structure analysis of artificial metalloproteins: selective coordination of His64 to copper complexes with square-planar structure in the apo-myoglobin scaffold.
abstract: apo-Myoglobin (apo-Mb) was reconstituted with three copper complexes: CuII(Sal-Phe) (1; Sal-Phe = N-salicylidene-L-phenylalanato), CuII(Sal-Leu) (2; Sal-Leu = N-salicylidene-L-leucinato), and CuII(Sal-Ala) (3; Sal-Ala = N-salicylidene-L-alanato). The crystal structures of 1.apo-Mb (1.65 Angstrom resolution) and 2.apo-Mb (1.8 Angstrom resolution) show that the coordination geometry around the CuII atom in apo-Mb is distorted square-planar with tridentate Sal-X and a Nepsilon atom of His64 in the apo-Mb cavity and the plane of these copper complexes is perpendicular to that of heme. These results suggest that the apo-Mb cavity can hold metal complexes with various coordination geometries.
authors.affiliation: Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan.
authors.forename: Satoshi
authors.initials: S
authors.lastname: Abe
authors.forename: Takafumi
authors.initials: T
authors.lastname: Ueno
authors.forename: Pattubala A N
authors.initials: PA
authors.lastname: Reddy
authors.forename: Seiji
authors.initials: S
authors.lastname: Okazaki
authors.forename: Tatsuo
authors.initials: T
authors.lastname: Hikage
authors.forename: Atsuo
authors.initials: A
authors.lastname: Suzuki
authors.forename: Takashi
authors.initials: T
authors.lastname: Yamane
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Nakajima
authors.forename: Yoshihito
authors.initials: Y
authors.lastname: Watanabe
mesh_terms: D001059:Apoproteins / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D015195:Drug Design; D006639:Histidine / Q000737:chemistry; D008667:Metalloproteins / Q000138:chemical synthesis* / Q000737:chemistry; D015394:Molecular Structure; D009211:Myoglobin / Q000737:chemistry*; D009942:Organometallic Compounds / Q000737:chemistry
chemical_list: D001059:Apoproteins; D008667:Metalloproteins; D009211:Myoglobin; D009942:Organometallic Compounds; C010857:apomyoglobin; D006639:Histidine; D003300:Copper