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![[Figure 4]](ag5010fig4mag.jpg)
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Figure 4
Binding interactions of benzoyl-CoA. (a) Co-crystallization of MdBIS3 with benzoyl-CoA. MdBIS3 is displayed as a green cartoon; benzoyl-CoA is displayed in ball-and-stick representation. Hydrogen bonds are shown as dashed lines and waters are shown as spheres. Atoms are color-coded according to element: carbon, black; oxygen, red; nitrogen, blue; sulfur, yellow. The 2Fo − Fc OMIT electron-density difference map surrounding the benzoyl-CoA ligand is displayed as blue-colored cages and contoured at σ = 1.0 with carve = 1.3. (b) Overlay of the MdBIS3–benzoyl-CoA complex with MdCHS2 and HaBPS. Residues associated with the displaced solvent-exposed loop near the CoA tunnel and mutations near the benzoyl moiety of benzoyl-CoA are displayed as sticks. (c) Overlay of the MdBIS3–benzoyl-CoA complex with MdCHS2 and HaBPS rotated approximately 120° counterclockwise from that shown in (b). |
![[Figure 4]](ag5010fig4.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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