 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 2]](rr5017fig2mag.jpg)
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Figure 2
The region near ValC209 in PDB entry 3nl6 is shown in (a) as originally produced with phenix.refine. All H atoms were added to this model and their positions were minimized while holding non-H atoms in fixed positions, but only some of these H atoms are shown for clarity. The extremely close contacts between the H atom attached to Cβ of ValC15 and atoms of the ValC209 side chain (orange dashed lines) distorted the bond angles around Cβ. The coordinates of residues C209 and C210 changed after PrimeX refinement as shown in (b), with a shift in the backbone conformation, relieving the close contacts and resulting in multiple additional hydrogen bonds to the ligand (purple dashed lines). The electron-density grid for this region is contoured at 1.0σ from a 2Fo − Fc composite OMIT map. |
![[Figure 2]](rr5017fig2.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
