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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.
Heavy-atom
Database System: a tool for the preparation of heavy-atom
derivatives of protein crystals based on amino-acid sequence and
crystallization conditions.
Acta
Crystallographica Section D61,
1302-1305, (2005).
HATODAS
II - heavy-atom database system with potentiality scoring. Journal of Applied
Crystallography, 42, 540-544. (2009).
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