title: Heavy-atom Database System: a tool for the preparation of heavy-atom derivatives of protein crystals based on amino-acid sequence and crystallization conditions.
abstract: Heavy-atom Database System (HATODAS) is a WWW-based tool designed to assist the heavy-atom derivatization of proteins. The conventional procedure for the preparation of derivatives is usually a time-consuming 'trial-and-error' process. The present program provides a solution for this problem using a database of known heavy-atom derivatives. A database search suggests potential heavy-atom reagents for any target protein based on its amino-acid sequence and crystallization conditions. A mining of the database identified 93 preferred motifs for heavy-atom binding. The motifs are observed frequently at the actual heavy-atom-binding sites encountered in the process of structure determination.
authors.affiliation: Advanced Protein Crystallography Research Group, RIKEN Harima Institute at SPring-8, 1-1-1 Kouto, Mikazuki-cho, Sayo-gun, Hyogo 679-5148, Japan.
authors.forename: Michihiro
authors.initials: M
authors.lastname: Sugahara
authors.forename: Yukuhiko
authors.initials: Y
authors.lastname: Asada
authors.forename: Haruhiko
authors.initials: H
authors.lastname: Ayama
authors.forename: Hisashi
authors.initials: H
authors.lastname: Ukawa
authors.forename: Hideyuki
authors.initials: H
authors.lastname: Taka
authors.forename: Naoki
authors.initials: N
authors.lastname: Kunishima
mesh_terms: D020816:Amino Acid Motifs; D000595:Amino Acid Sequence; D001665:Binding Sites; D003460:Crystallization / Q000379:methods*; D016208:Databases, Factual; D019216:Metals, Heavy; D011506:Proteins / Q000737:chemistry*
chemical_list: D019216:Metals, Heavy; D011506:Proteins