Figure 5: Molecular model of the C8 intermediate docked into KIVD and GEO 175. | Nature Communications

Figure 5: Molecular model of the C8 intermediate docked into KIVD and GEO 175.

From: Integrative genomic mining for enzyme function to enable engineering of a non-natural biosynthetic pathway

Figure 5

Cross-sections of the space-filled active site are represented for KIVD (a) and GEO 175 (b). The C8 ketoacid and TPP ligand are shown in brown and grey, respectively. The relative orientation of the C8 ligand to the TPP cofactor represents one conformation of the reaction intermediate used in the simulations; additional details are provided in Methods. A detailed view of the amino acids within the active site are illustrated for KIVD (c) and GEO 175 (d). Residues within 5 Å of C8 ligand are shown in sticks and their corresponding C-alpha are shown in spheres. Figure was generated using PyMol v1.7.4 (ref. 34).

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