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![[Figure 3]](ni5004fig3mag.jpg)
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Figure 3
Ball-and-stick and schematic depictions of ion coordination at the Zn2+ site of Shh-N crystal structures. (a) The octahedral coordination geometry of the current study depicting inner-sphere Zn2+/Mg2+ coordination by the side chains of His140, Asp147, Glu176 and His182 and two water molecules. The distances between each ligand and divalent ion are shown in Å. The corresponding line segments between ligands and ions are labeled with letters to describe the associated bond angles: ∠ab = 85.8°, ∠ad = 92.6°, ∠ae = 90.8°, ∠af = 87.4°, ∠bc = 89.8°, ∠be = 85.0°, ∠bf = 84.4°, ∠cd = 91.7°, ∠ce = 89.6°, ∠cf = 91.4°, ∠de = 99.9° and ∠df = 90.7°. Here and elsewhere, schematic diagrams of the coordination sphere are depicted on the right. (b) Octahedral Zn2+-coordination geometry from a previously described co-crystal structure of mouse Shh-N (residue number +1 compared with human structures) in complex with the third fibronectin-type III domain of CDO (gold; PDB entry 3d1m; McLellan et al., 2008  ) superimposed (Cα r.m.s.d. of 0.54 Å) on the current model (purple). (c) Tetrahedral Zn2+ coordination of a previously reported human Shh-N structure (gold; PDB 3mxw; Maun et al., 2010) with a water molecule as the fourth ligand in the tetrahedral coordination sphere superimposed (Cα r.m.s.d. of 0.64 Å) on the current model (purple). (d) Tetrahedral Zn2+ coordination of a previously reported human Shh-N structure (gold; PDB entry 3ho5; Bosanac et al., 2009) in complex with HHIP (green) that contributes residue Asp383 to complete the tetrahedral coordination sphere superimposed (Cα r.m.s.d. of 0.63 Å) on the current model (purple). |
![[Figure 3]](ni5004fig3.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
