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Inference of Functionally-Relevant N-acetyltransferase Residues Based on Statistical Correlations

Fig 6

Pattern residues associated with the node 42 lineage.

A. The structural locations of pattern residues corresponding to nodes 35, 40 and 42 (the sidechains of which are shown in red, orange and yellow, respectively) of the apo form of a putative acetylase from Salmonella typhimurium (pdb_id: 3dr6). This protein forms a homodimer, the two subunits of which are shown in blue and gray. Residues are shown within the bottom subunit of the homodimeric complex only. B. Pattern residues associated with interactions between dimeric subunits in the apo form (pdb_id: 3dr6). C. Pattern residues that line the substrate binding pocket within the CoA-bound form of the same acetylase as in (A) (pdb_id: 3dr8). CoA is shown in cyan. D. The corresponding surface plot of the pocket using the same color scheme.

Fig 6

doi: https://doi.org/10.1371/journal.pcbi.1005294.g006