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Figure 22
Structures of individual enantiomers in complex with hFABP4. Both cases had 1.02 Å resolution and the omit maps are contoured at 4 r.m.s.d. The calculated pKa value for both enantiomers is 3.8. The anisotropically refined B values for the oxolane moiety in the structures are given in units of Å2 in the middle panel (R is the remainder of the ligand). The final assigned chirality at the oxolane is also indicated as (2R) for 7fxh and (2S) for 7fxn. (a) The van der Waals contact between the C atom and Arg127 in 7fxh is 3.7 Å (dashed gray line). The O atom points away from Arg127 and recruits a water molecule. (b) In the other enantiomer, the O atom makes direct interactions with Arg127.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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