Figure 2
Analysis of the calcium binding sites of hGIIE. Residues involved in the calcium binding sites are labeled and shown in line presentation. Water molecules are shown in red spheres, calcium ions are shown in spheres, and occupancy of calcium is labeled in parenthesis. Inhibitors are shown in line representation. (a) Calcium binding sites of apo-hGIIE_1 from the crystal formed in the condition without calcium ion. (b) Calcium binding sites of apo-hGIIE_2 from the crystal formed in the presence with 10 mM CaCl2. Asp22 has two alternative conformations, colored in orange and light orange. (c) Superposition of the second calcium binding site of apo-hGIIE_1 (gray) and of apo-hGIIE_2 (light orange). (d) Calcium binding sites of the inhibited hGIIE structures with compound 8 (green), 14 (yellow), 24 (blue) and Me-Indoxam (red). (e) Calcium binding sites of the inhibited hGIIE structure with LY311727. (f) Superposition of calcium binding sites of apo-hGIIE_1 (gray) and hGIIE-Me-Indoxam (cyan). Asn21 is shown in stick presentation. Black arrows indicate the positional change of the residues of hGIIE after binding with Me-Indoxam. There is no change in terms of disulfide bonds between the two apo hGIIE structures, therefore, the disulfide bonds were not labeled in this figure for clarity reason.
