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. 2008 Aug 8;105(33):11725–11730. doi: 10.1073/pnas.0801783105

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© 2008 by The National Academy of Sciences of the USA

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Fig. 4. — Overlay of the combining sites of 1E9, 1E9dm, and DB3 with bound ligands. (A) 1E9 and its TSA (gray) superimposed with 1E9dm binding progesterone (cyan). This view is rotated around the z axis ≈90° compared with B–D to demonstrate the movement of the Trp^H50 side chain in 1E9dm caused by the Leu^H47Trp mutation. (B) The TSA bound by 1E9 (gray) and 5β-androstane-3,17-dione bound by 1E9dm (orange). (C) Progesterone bound by 1E9dm in the inverse head-to-tail binding mode with a buried A ring (cyan). The same steroid bound by DB3 (gray). (D) 5β-androstane-3,17-dione bound by 1E9dm (orange) and DB3 (gray).