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Figure 6 | BMC Bioinformatics

Figure 6

From: Genome scale prediction of substrate specificity for acyl adenylate superfamily of enzymes based on active site residue profiles

Figure 6

Docking of myristic acid onto model of long chain:CoA ligase. (a) The N-terminal domain of the homology model of long chain:CoA liagse. The figure shows that AUTODOCK sampled many conformations (shown in yellow) within the docking grid. (b) Histogram showing the various clusters obtained after docking. The cluster highlighted in red was chosen and the docked conformation was selected. (c) Comparison of the conformation of the docked ligand (green) with the conformation of the same ligand as obtained from X-ray crystallography (PDB code: 1V26) (orange).

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BMC Bioinformatics

ISSN: 1471-2105

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