Ligand validation:7FAK


1UI: 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide

1UI is a Ligand Of Interest in 7FAK designated by the Author


Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7FAK_1UI_A_901Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7FAK_1UI_A_901Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7FAK_1UI_A_901Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Other instances in this entry
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Best-fitted PDB instances with same target (top 5)
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Best-fitted PDB instances with different target (top 5)
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
7FAK_1UI_A_901 77% 68% 0.102 0.9420.42 0.8 - 410100%0.97
7VC2_1UI_A_901 40% 75% 0.157 0.8670.25 0.73 - 200100%0.92
7F99_1UI_B_1901 89% 73% 0.093 0.9710.23 0.81 - 300100%0.92
7F9C_1UI_B_1901 67% 75% 0.14 0.9490.25 0.73 - 300100%1
7F9D_1UI_A_1901 51% 79% 0.169 0.9250.28 0.59 - 200100%1