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![[Figure 3]](ba5256fig3mag.jpg)
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Figure 3
Ligand guessing without (yellow skeleton) and with (blue skeleton) the use of the estimated energy as an additional parameter for (a) the hypoxanthine-guanine-xanthine phosphoribosyltransferase [PDB entry 1hgx; 2mFo − mFc map contoured at a 2.5σ level above the mean (0.833 e Å−3) in black mesh], (b) the Bud32–Cgi121 protein complex [PDB entry 4ww7; 2mFo − mFc map contoured at a 2.5σ level above the mean (0.709 e Å−3) in black mesh] and (c) the putative 5′-methylthioadenosine/S-adenosylhomocysteine nucleosidase from B. burgdorferi B31 [PDB entry 4l0m; 2mFo − mFc map contoured at a 2.5σ level above the mean (0.831 e Å−3) in black mesh]. Dashed black lines indicate favourable contacts; dashed red lines show interatomic clashes. |
![[Figure 3]](ba5256fig3.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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