wwPDB validation report of PDB entry 1THE

Cathepsin B1, RSG-2, Cathepsin B light chain, Cathepsin B heavy chain

THE VAL 223 ALA SUBSTITUTION WAS PRESENT IN THE PLASMID SUPPLIED TO DR. J. S. MORT BY DR. SHU CHAN ALTHOUGH IT IS NOT MENTIONED IN THE PAPER GIVING THE CDNA SEQUENCE. IT IS POSSIBLE THAT THIS CHANGE, ALSO WITH RESPECT TO THE ORIGINAL PROTEIN SEQUENCE FROM A PREPARATION OF PURIFIED PROTEIN, COULD REPRESENT A POLYMORPHISM BETWEEN THE STRAINS OF RAT THAT WERE USED IN EACH CASE. THE SUBSTITUTION IS NOT STRUCTURALLY IMPORTANT.

RESIDUE ASN 222 OF BOTH CHAINS HAS PHI-PSI ANGLES OUTSIDE THE NORMALLY PERMITTED RANGE BECAUSE ITS SIDECHAIN OXYGEN ATOM IS INVOLVED IN A HYDROGEN BOND WITH THE ADJACENT MAIN-CHAIN N-H 223.

CATHEPSIN B, CARBOBENZOXY GROUP, ARGININE, 3-AMINO-4-OXYBENZYL-2-BUTANONE
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN

BINDING SITE FOR RAT CATHEPSIN B, CHAIN A

BINDING SITE FOR RAT CATHEPSIN B, CHAIN B

The largest off-origin peak in the Patterson function is 6.40% of the height of the origin peak. No significant pseudotranslation is detected.

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

structure factor analysis and validation

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