Figure 2
(a) CRABPI-L29C with the binding triad (Arg112-Arg132-Tyr134) (ribbon representation, pale blue; O atoms, red; N atoms, blue) and a conserved water molecule hydrogen-bonded to the associated DC645 ligand (brick red; O atoms, red; N atoms, blue). The asymmetric unit is composed of two independent monomers; one ligand-bound (chain A, shown) and one with an unoccupied binding site (the r.m.s.d. between chains A and B on Cα atoms is 0.64 Å). (b) Ligand density of DC645 in chain A in the ligand-binding site of CRABPI-L29C (2Fo − Fc map including ligand, contour σ = 1.00). (c) Chemical structure of DC645. |