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. Author manuscript; available in PMC: 2018 May 16.
Published in final edited form as: Org Biomol Chem. 2017 May 16;15(19):4096–4114. doi: 10.1039/c7ob00526a

Figure 6.

Figure 6

(a) Schematic of the criteria used to search the PDB for bis-Thr pairs in the vicinity of ligands. (b) Protein kinase B inhibitor with a 9H-purine component near the bis-Thr pair in the polar conformation. In this structure, the purine N9 engages in a hydrogen bond (yellow dash) with one of the Thr side chain hydroxyls. (c) Protein kinase B inhibitor with a 7H-pyrrolo[2,3-d]pyrimidine moiety near the bis-Thr pair in the apolar conformation. In this inhibitor, N9 is replaced with a carbon, which consequently engages in favorable hydrophobic contacts (orange dash) with a Thr methyl group.