Figure 2

Co-crystal structure of HSA in complex with iophenoxic acid. (a) Simulated annealing omit map contoured at 3σ for iophenoxic acid bound in drug site 1 in sub-domain IIA. (b) Overview of HSA, coloured by sub-domain, showing the locations of the two primary drug sites and the four molecules of iophenoxic acid. (c) Close-up of iophenoxic acid bound in drug site 1. The ligand and selected side-chains are shown as sticks, coloured by atom type (carbon - grey (yellow in the iophenoxic acid); oxygen - red; nitrogen - blue; iodine - magenta). The surface of iophenoxic acid is shown as a semi-transparent grey surface. Hydrogen bonds and salt bridges are indicated by dotted orange lines.