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![[Figure 4]](ba5290fig4mag.jpg)
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Figure 4
Building multiconformer models by cross-pollinating conformations. (a) In a single-conformer version of a multiconformer model for a room-temperature apo (278 K) structure of PTP1B (PDB entry 6b8x; Keedy et al., 2018  ), `loop 16' fits the 2Fo − Fc (1.25σ as a cyan volume and blue mesh) electron-density map well, but significant positive Fo − Fc (+3.0σ and −3.0σ in green and red, respectively; both volume and mesh) peaks remain. It is difficult to visually guess the conformational change that would relate the single-conformer model to the difference density. (b) Loop 16 in another structure of PTP1B, at cryogenic temperature with a ligand bound elsewhere (PDB entry 1t49; Wiesmann et al., 2004), easily explains the difference density, allowing one to combine these states into a multiconformer model (PDB entry 6b8x; Keedy et al., 2018). Images were obtained using PyMOL (Schrödinger). |
![[Figure 4]](ba5290fig4.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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