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Protein Science — Electronic Supplementary Material

Gerard Pujadas and Jaume Palau
Molecular mimicry of substrate oxygen atoms by water molecules in the beta-amylase active site
Protein Science, August 2001, Volume 10, Number 8, pp. 1645-1657

Supplemental Research Data

Kinemage (kinetic image) file [ascii text] (90 KB; 3 kinemages) Get MAGE Reader
Kinemage 1: Molecular mimcry of substrate oxygen atoms by water molecules in the beta-amylase active site.
Kinemage 2: Energy of interaction between SBA and Wat602, Wat784, Wat785, Wat786, Wat789 in 1BYA (and their equivalents in the other SBA structures). Relative location of the lowest local minima (LLM1) of interaction energy between SBA and water in positions around these crystallographic waters.
Kinemage 3: Analysis of SBA-inhibitor complexes provides proof that water molecules have a conformational stabilizing role in hydrogen bonding with beta-amylase residues.
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