wwPDB validation report of PDB entry 2PUG

DNA (5'-D(*TP*AP*CP*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*CP*GP*T )-3')

THE HYDROGEN BONDS FROM ARG 190 DETERMINE SPECIFICITY FOR THE O6 EXOCYCLIC ATOM OF THE NATURAL COREPRESSORS HYPOXANTHINE AND GUANINE AND PREVENT ADENINE BINDING. SUBSTITUTING ARG 190 WITH GLN YIELDS A MUTANT PURR WITH EXTENDED COREPRESSOR SPECIFICITY WHICH BINDS ADENINE IN ADDITION TO HYPOXANTHINE AND GUANINE.

CRYSTAL STRUCTURE OF THE LACI FAMILY MEMBER, PURR, BOUND TO DNA: MINOR GROOVE BINDING BY ALPHA HELICES

THE COMPLEX LIES ON A CRYSTALLOGRAPHIC TWO-FOLD AXIS, AND ONLY ONE MONOMER-DNA HALF-SITE CONSTITUTES THE ASYMMETRIC UNIT. THE COORDINATES COMPRISE ONE REPRESSOR MONOMER AND ONE DNA STRAND FOR THE ENTIRE SITE. THE FULL COMPLEX CAN BE CONSTRUCTED BY GENERATING THE SECOND HALF USING THE CRYSTALLOGRAPHIC SYMMETRY OPERATION (X, -Y, -Z).

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

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