 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 2]](va5006fig2mag.jpg)
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Figure 2
Three-dimensional structure and ligand binding of the T. pinophilus GH62 arabinofuranosidase in complex with the inhibitor AraDNJ. (a) Three-dimensional structure colour-ramped from the N-terminus (blue) to the C-terminus (red). Metal ions are shown as shaded spheres and AraDNJ as a CPK model. (b) The chemical structure of AraDNJ. (c) ITC data for AraDNJ binding (Kd of 24 ± 0.4 µM). (d) Observed electron density for AraDNJ bound to GH62, 2Fo − Fc (maximum-likelihood/σA-weighted) at 1.25 Å contoured at 1σ. The catalytic acid Glu212 and base Asp52 are shown, along with a water molecule poised for nucleophilic attack. (e) Partial overlay of the T. pinophilus GH62 arabinofuranosidase (brown with AraDNJ in green) with the S. coelicolor GH62 arabinofuranosidase (PDB entry 3wn2; pale blue with xylopentaose in green), highlighting the highly conserved binding centre and the recognition apparatus for the arabinoxylan chain. Structural figures were drawn with CCP4mg (McNicholas et al., 2011  ). |
![[Figure 2]](va5006fig2.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
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