Figure 3.

Conformation and coordination of ApppA analog IB2. (a) Difference electron density (2F_obs − F_calc) contoured at 1σ, calculated with IB2 coordinates omitted, superimposed on the refined structure of IB2 in complex with wild-type Fhit. Side chains of coordinating residues are shown. (b) Difference electron density (F_obs − F_calc) contoured at 2.0σ, calculated with Asn-96 and His-98 side-chain coordinates omitted, superimposed on the refined structure of IB2 in complex with His96Asn Fhit. Side chains of Asn-96 and His-98 are shown.