Figure 4
(a) A Cα trace showing a structural superposition of molecule B of ERG10 (green model) on T2 in complex with CoA (cyan model; PDB entry 2ibu). The side chains of residues involved in substrate binding are shown as blue (ERG10) or red (T2) sticks. (b) Close-up of the substrate-binding pocket to analyse the effect of the substitution of histidine by alanine (Ala159) causing the loss of certain hydrogen-bond interactions (indicated by purple dashed lines) between ERG10 and the pantetheine moiety of the CoA molecule. The Ala159 (ERG10) and His192 (T2) residues and the key water molecule at the entrance to the pantetheine-binding cavity are highlighted in the dotted ellipse as blue and red sticks and a red sphere, respectively. The architecture of the active site containing Cys91, Asn322, His354 and Cys384 (shown as green sticks) is also highlighted. |