Figure 4
Statistical analyses of the 145 BACE1 data sets deposited in the PDB. (a) Hydrogen-bond (red) and hydrophobic (green) interactions between ligands and amino-acid residues in the 208 different BACE1 complex structures. The numbers of hydrogen-bond and hydrophobic interactions were assessed using LIGPLOT. (b) R.m.s.f. values for the main-chain atoms of the individual amino-acid residues in BACE1 calculated on the basis of the 222 available apo and complex structures extracted from the 145 BACE1 data sets. (c) The minimal distance between the C[alpha] atoms of flap residues 67-75 and the two carboxyl O atoms of Asp228 in the 208 complex (black) and 14 apo (red) conformations of BACE1. The structures are grouped according to the space groups to which they belong.  [article HTML]

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