Table 4. Spatial and electrostatic congruence of a three residue partial motif.

The match is significant and comprises active site residues (involved in the binding of myo-inositol in PDBid:1PTGA). Pair ‘ab’ is considered to be electrostatically congruent since the PD values are close to zero, and can be considered almost equipotential. This is expected for atoms of the same type from the same residue (GLU205OE1/GLU206OE1 and ASP67OD1/ASP198OD1). These three residues from PI-PLC (Asp67, Asp198 and Trp178) and corresponding three residues from DPP4 (Glu205, Glu206 and Tyr662) were used to superimpose DPP4 and PI-PLC. D = Pairwise distance in Å. PD = Pairwise potential difference. APBS writes out the electrostatic potential in dimensionless units of kT/e where k is Boltzmann’s constant, T is the temperature in K and e is the charge of an electron.

PDB	Atoms(a,b,c)		ab	ac	bc
2OQIA 1PTDA	GLU205OE1,GLU206OE1,TYR662CZ, ASP67OD1,ASP198OD1,TRP178CZ2,	D PD D PD	6.6 -9.3 7.7 81.8	7.2 -341.5 6.7 -275.7	5.8 -332.2 4.9 -357.6