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Fig. 7 | BMC Bioinformatics

Fig. 7

From: Molecular dynamics and structure function analysis show that substrate binding and specificity are major forces in the functional diversification of Eqolisins

Fig. 7

The D65-D77 Mutual Information network is involved in substrate specificity. a Cartoon of 2IFW with highlighted binding cleft. Transition state inhibitor is indicated in purple licorice. Sites are indicated in colored licorice (see legend) with surface indication. b Interaction of D65 and D77 with substrate analog. The inset shows that the acid groups of both aspartates (S3’ yellow surf) interact directly with the basic group of the Lysine form the the analog (purple). Other SDPs of the same SDN are indicated in blue (See also Additional file 16)

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BMC Bioinformatics

ISSN: 1471-2105

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