Ligand validation:6KLJ


CIY: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal

CIY is a Ligand Of Interest in 6KLJ designated by the Author


Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter6KLJ_CIY_A_614Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter6KLJ_CIY_A_614Click 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 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
6KLJ_CIY_A_614 5% 25% 0.307 0.7061.56 1.51 2 430100%0.67
5FXE_CIY_A_602 84% 17% 0.107 0.9682.37 1.24 3 200100%1
6HOT_CIY_A_404 72% 32% 0.109 0.9321.2 1.47 2 300100%1
4HFN_CIY_A_401 55% 3% 0.15 0.9184.16 2.08 5 510100%1
6HOP_CIY_A_408 37% 33% 0.167 0.8631.21 1.45 2 200100%2
3P9K_CIY_A_601 30% 10% 0.157 0.8212.34 2.02 4 400100%1