wwPDB validation report of PDB entry 3ZSZ

SMALL MOLECULE INHIBITORS OF THE LEDGF SITE OF HIV TYPE 1 INTEGRASE IDENTIFIED BY FRAGMENT SCREENING AND STRUCTURE BASED DRUG DESIGN

HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OFTETRAPHENYL ARSONIUM.

SMALL MOLECULE INHIBITORS OF THE LEDGF SITE OF HIV TYPE 1 INTEGRASE IDENTIFIED BY FRAGMENT SCREENING AND STRUCTURE BASED DESIGN

HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYLARSONIUM

ENGINEERED RESIDUE IN CHAIN A, CYS 56 TO SER ENGINEERED RESIDUE IN CHAIN A, PHE 139 TO ASP ENGINEERED RESIDUE IN CHAIN A, PHE 185 TO HIS ENGINEERED RESIDUE IN CHAIN B, CYS 56 TO SER ENGINEERED RESIDUE IN CHAIN B, PHE 139 TO ASP ENGINEERED RESIDUE IN CHAIN B, PHE 185 TO HIS

OM2 (R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]
METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-
METHYL-AZANIUM IS AN ANALOGUE OF 3-BENZODIOXOLE-4-
CARBOXYLIC ACID.

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

The largest off-origin peak in the Patterson function is 8.83% 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