wwPDB validation report of PDB entry 3D1X

(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Same protein complexed with DARUNAVIR at 1.4A resolution

Mutant I50V and inhibitor saquinavir at 1.2 A resolution

Mutant I54V and inhibitor SAQUINAvir at 1.05A

Mutant I54M and inhibitor DARUNAVIR at 1.3A

MUTANT I54V AND INHIBITOR DARUNAVIA at 1.05A

THE INHIBITOR ROC IS A HYDROXYETHYLAMINE CONTAINING TRANSITION STATE MIMETIC.
MUTATIONS Q7K, L33I, L63I, C67A, C95A, HAVE BEEN MADE TO STABILIZE THE PROTEASE FROM AUTOPROTEOLYSIS, WHILE RETAINING ACTIVITY SIMILAR TO WILD-TYPE HIV-1 PROTEASE

ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF)

Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir

The largest off-origin peak in the Patterson function is 7.55% 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)