title: Computational approaches to structural and functional analysis of plastocyanin and other blue copper proteins.
abstract: Computational techniques are becoming increasingly important in structural and functional biology, in particular as tools to aid the interpretation of experimental results and the design of new systems. This review reports on recent studies employing a variety of computational approaches to unravel the microscopic details of the structure-function relationships in plastocyanin and other proteins belonging to the blue copper superfamily. Aspects covered include protein recognition, electron transfer and protein-solvent interaction properties of the blue copper protein family. The relevance of integrating diverse computational approaches to address the analysis of a complex protein system, such as a cupredoxin metalloprotein, is emphasized.
authors.affiliation: Chemistry Department, University of Modena and Reggio Emilia, Via Campi 183, 41100 Modena, Italy. derienzo.francesca@unimore.it
authors.forename: F
authors.initials: F
authors.lastname: De Rienzo
authors.forename: R R
authors.initials: RR
authors.lastname: Gabdoulline
authors.forename: R C
authors.initials: RC
authors.lastname: Wade
authors.forename: M
authors.initials: M
authors.lastname: Sola
authors.forename: M C
authors.initials: MC
authors.lastname: Menziani
mesh_terms: D000465:Algorithms; D001400:Azurin / Q000031:analogs & derivatives* / Q000737:chemistry; D001426:Bacterial Proteins / Q000378:metabolism; D001665:Binding Sites; D002352:Carrier Proteins / Q000737:chemistry* / Q000502:physiology; D019295:Computational Biology; D003300:Copper / Q000737:chemistry; D004583:Electrons; D006418:Heme / Q000737:chemistry; D007700:Kinetics; D008958:Models, Molecular; D010084:Oxidation-Reduction; D010940:Plant Proteins / Q000737:chemistry; D010970:Plastocyanin / Q000737:chemistry* / Q000502:physiology; D011485:Protein Binding; D017433:Protein Structure, Secondary; D012984:Software; D013329:Structure-Activity Relationship
chemical_list: D001426:Bacterial Proteins; D002352:Carrier Proteins; D010940:Plant Proteins; C023548:copper-binding protein; C050107:cupredoxin; D001400:Azurin; D006418:Heme; D003300:Copper; D010970:Plastocyanin