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. 2023 Jun 29;3(7):1952–1964. doi: 10.1021/jacsau.3c00198

Figure 4.

Figure 4

Synthesis, purification, and crystal structure of iodo-labeled thyclotide 8 with complementary DNA. (A) Synthetic route for the preparation of iodo-labeled thyclotide monomer 7. (B) HPLC chromatograms of iodo-labeled thyclotide 8 (blue), its complementary DNA (red), and thyclotide 8–DNA duplex (purple). ItU* represents iodo-labeled thyclotide residue 7, B* represents thf residue, and X represents 2-aminoethoxy-2-ethoxy acetic acid (AEEA linker). (C) Stick view of thyclotide 8–DNA double-helix (two helices, A–B duplex and C–D duplex, in the asymmetric crystallographic unit). Hydrogen bonds are shown as purple lines. (D) Stick views of thyclotide 8–DNA double-helix structure (C–D duplex, left), the iodo-labeled thyclotide 8 (strand D, middle), and its complementary DNA (strand C, right). Resolution = 2.0 Å, R/Rfree = 23.2/26.4, and space group = I222. Hydrogen bonds are shown as purple lines.