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Figure 5
Structure of the active site of the complex of DispTs2 with di-NAG-thiazoline. The second GlcNAc (not shown) is not well defined, most probably because the −2 subsite preferentially accommodates GlcN rather than GlcNAc. The −1 and −2 subsites are shown in bold. The maximum-likelihood/σA-weighted 2Fobs − Fcalc map is shown in green contoured at 0.16 e Å−3. We did not create a new ligand library for this case because of poor density fit of the second unit; NAG-thiazoline only (NGT in the PDB ligand library) was modelled into the structure, shown in green. |