wwPDB validation report of PDB entry 1YJC

THE SIDE CHAIN IMIDAZOLE RING OF HISTIDINE 64 OF THE CATALYTIC TRIAD HAS ROTATED APPROXIMATELY 180 DEGREES RELATIVE TO THE HIS 64 SIDE CHAIN OF WILD-TYPE SUBTILISIN.

SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 50% DIMETHYLFORMAMIDE

OCCUPIED BY A CALCIUM ION. STRONG BINDING SITE.

OCCUPIED BY A CALCIUM ION AND A WATER MOLECULE. WEAK BINDING SITE.

The largest off-origin peak in the Patterson function is 10.02% 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)