wwPDB validation report of PDB entry 3PA9

THE STARTING INACTIVATOR MOLECULE (S)-4-AMINO-4,5-DYHIDRO-2-FURANCARBOXYLIC ACID (S-ADFA) UNDERGOES A CHEMICAL TRANSFORMATION BY IRREVERSIBLY BINDING TO THE ACTIVE SITE RESIDUE K246 OF ASPC. THE LIGAND PJ7 REPRESENTS FINAL PRODUCT

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

Aspartate aminotransferase (E.C.2.6.1.1)
Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 7.5

The largest off-origin peak in the Patterson function is 5.23% 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)