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. 2019 Aug 27;20(17):4194. doi: 10.3390/ijms20174194

Figure 1.

Figure 1

The ribbon diagram of the X-ray crystal structure of 1CK7. The pro-peptide (Pro31-Gln109) region is removed, and the unresolved link (Asp450-Thr460) connecting the Cat and Hpx domains built with YASARA [16]. Domains, subdomains, and secondary structural features of the catalytic domain are labeled accordingly (blue, α-helix; red, β-sheet; green, β-turn/bend; and aqua, coil) (A). The associated ions are shown as van der Waals radii with Zn2+ pink and Ca2+ yellow. The catalytic Zn2+ ion 1 is bound to His403, Glu404, His407, His413, and catalytic water (B). Zn2+ ion 2 is bound to His178, Asp180, His193, and His206 (C). Ca2+ ion 1 is bound to Asp185, Gly186, Asp188, Leu198, Asp208, and Glu211 (D). Ca2+ ion 2 is bound to Glu166, Ala167, Asp168, Gly200, Gly202, and Asp204 (E). Ca 2+ ion 3 is bound to Asp 476, Asp521, Asp569, and Asp618 (F).