title: Identification of two-histidines one-carboxylate binding motifs in proteins amenable to facial coordination to metals.
abstract: Among natural metalloenzymes, the facial two-histidines one-carboxylate binding motif (FTM) is a widely represented first coordination sphere motif present in the active site of a variety of metalloenzymes. A PDB search revealed a total of 1685 structures bearing such FTMs bound to a metal. Sixty statistically representative FTMs were selected and used as template for the identification of structurally characterized proteins bearing these three amino acids in a propitious environment for binding to a transition metal. This geometrical superposition search, carried out using the STAMPS software, returned 2320 hits. While most consisted of either apo-FTMs or bore strong sequence homology to known FTMs, seven such structures lying within a cavity were identified as novel and viable scaffolds for the creation of artificial metalloenzymes bearing an FTM.
authors.affiliation: Department of Chemistry, University of Basel, Spitalstrasse 51, CH 4056-Basel, Switzerland.
authors.forename: Beat
authors.initials: B
authors.lastname: Amrein
authors.forename: Maurus
authors.initials: M
authors.lastname: Schmid
authors.forename: Guillaume
authors.initials: G
authors.lastname: Collet
authors.forename: Philippe
authors.initials: P
authors.lastname: Cuniasse
authors.forename: François
authors.initials: F
authors.lastname: Gilardoni
authors.forename: Florian P
authors.initials: FP
authors.lastname: Seebeck
authors.forename: Thomas R
authors.initials: TR
authors.lastname: Ward
mesh_terms: D020816:Amino Acid Motifs / Q000235:genetics; D000595:Amino Acid Sequence; D001665:Binding Sites / Q000235:genetics; D002264:Carboxylic Acids / Q000737:chemistry* / Q000378:metabolism; D043422:Carboxypeptidases A / Q000737:chemistry / Q000378:metabolism; D019295:Computational Biology / Q000379:methods; D030562:Databases, Protein; D006639:Histidine / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D008667:Metalloproteins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D008670:Metals / Q000737:chemistry* / Q000378:metabolism; D008958:Models, Molecular; D015394:Molecular Structure; D011487:Protein Conformation; D017434:Protein Structure, Tertiary; D012984:Software
chemical_list: D002264:Carboxylic Acids; D008667:Metalloproteins; D008670:Metals; D006639:Histidine; D043422:Carboxypeptidases A