Figures and Tables

From the following article:

Structure-based activity prediction for an enzyme of unknown function

Johannes C. Hermann, Ricardo Marti-Arbona, Alexander A. Fedorov, Elena Fedorov, Steven C. Almo, Brian K. Shoichet & Frank M. Raushel

Nature 448, 775-779(16 August 2007)

doi:10.1038/nature05981

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Figure 1

Sample transformations of metabolites from their ground state structure into the high-energy intermediate forms that were used for docking.

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Figure 2

Binding and conversion of MTA by Tm0936.

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Figure 3

Comparing the docking prediction and the crystallographic result.

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Table 1

The occurrence of adenine analogues among the top-ranked docking hits

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Table 2

Docking ranks and Tm0936 catalytic constants for five predicted substrates

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