wwPDB validation report of PDB entry 1O36

Bovine trypsin complex with different inhibitor

Residues simultaneously refined in two or more conformations are:
Val53, Leu66, Ser86, Lys87, Se113, Ser130, Lys159, Asp165,
Ser170, Gln175, Ser195, Lys230, Ser236.
HOH384 makes short H-bonds with OgSer195 (Conformation 2) and O6' of the inhibitor
HOH383 makes short H-bonds with OgSer195 (Conformation 1) and O6' of the inhibitor

His40 and HIS91 are MONOPROTONATED ON THE EPSILON NITROGEN.
His57 is doubly protonated.

Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors

The largest off-origin peak in the Patterson function is 8.95% of the height of the origin peak. No significant pseudotranslation is detected.

structure factor analysis and validation

geometric validation package for ligand chemistry in protein x-ray structures

20191225.v01 (using entries in the PDB archive December 25th 2019)