 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 1]](gm5031fig1mag.jpg)
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Figure 1
(a) The cUNG–Ugi complex (cUNG in blue, Ugi in green) superimposed on the hUNG–Ugi complex (PDB entry 1emh ; grey) with some loops labelled. There are no large conformational shifts in cUNG–Ugi compared with hUNG–Ugi, except for in some flexible loop areas. (b) Ribbon representation of the cUNG–Ugi complex (cUNG in light blue, Ugi in green) superimposed on the hUNG (in grey) complex structure with uncleaved substrate (uracil) containing DNA (PDB entry 1emh ). (c, d) Calculated electrostatic surface potential of (c) cUNG (chains EF) and (d) hUNG in complex with Ugi (grey). Selected residues are displayed as stick models and labelled. UNG surfaces are gradient coloured according to the electrostatic potential at 25°C (−12kT/e to +12kT/e) from negative (red) to positive (blue) potential. The difference in the surface potential of cUNG can be seen as small changes spread over the contact surface area, in particular in the groove accommodating the Ugi β-sheet that mimics the phosphate backbone of DNA. |
![[Figure 1]](gm5031fig1.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
