Table 1. Subtilisin catalytic site geometries.
Distance | lower-range | upper-range |
HIS@CA-SER@CA | 8.3 | 8.72 |
HIS@CB-SER@CB | 6.44 | 6.89 |
HIS@CA-ASP@CA | 7.22 | 7.46 |
HIS@CB-ASP@CB | 5.83 | 6.61 |
SER@CA-ASP@CA | 9.87 | 10.11 |
SER@CB-ASP@CB | 8.15 | 8.53 |
SER@OG-HIS@NE2 | 2.57 | 3.36 |
ASP@CG-HIS@ND1 | 3.15 | 3.35 |
ASN@CG-SER@CB | 6.34 | 6.74 |
SER@OH-surface | 1.58 | 1.60 |
The distances were obtained by analyzing the geometry of the catalytic site (Asp-His-Ser) of the templates used in the modelling of PfSUB1. The Asn is the residue forming the oxyanion hole.