view article

Figure 7
Geometry of cation–π interaction between PUT and tryptophan in PaHSS and BvHSS. Interaction geometry between PUT atoms C4 and N2 and the tryptophan benzene moiety in (a, b) PaHSS (PDB entry 6y87 chain E) and (c, d) BvHSS (PDB entry 4tvb chain B; Krossa et al., 2016BB28). Structures are shown in ball-and-stick representation, with distances as yellow dashed lines, angle legs as gray lines and angles as gray transparent triangles [not visible for φ in (c)]. The orthogonal projections of C4 and N2 onto the ring planes are shown as black spheres (C4′ and N2′). All angle legs originate from the centroid of the benzene moiety, including the dashed distance vectors (centroid to C4 and N2). The angle θ is spanned by the normal of the ring plane (gray, infinitely pointing upwards) and the C4 or N2 distance vector (yellow, dashed). The angle φ is between the vector pointing to C4′ or N2′ and the vector pointing to the CH2 ring carbon.

Journal logoSTRUCTURAL
ISSN: 2059-7983
Follow Acta Cryst. D
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds