IPA: ISOPROPYL ALCOHOL



Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3CE4_IPA_B_801Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3CE4_IPA_B_801Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3CE4_IPA_B_801Click 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
3CE4_IPA_B_801 78% 85% 0.088 0.9290.5 0.25 - -00100%1
3CE4_IPA_C_802 47% 81% 0.133 0.870.59 0.24 - -20100%1
5BSJ_IPA_A_204 87% 74% 0.092 0.9650.4 0.62 - -10100%1
5HVT_IPA_A_206 83% 88% 0.083 0.9420.4 0.27 - -10100%1
4P01_IPA_A_202 31% 61% 0.209 0.8780.34 1.14 - -60100%1
4ESP_IPA_A_210 93% 55% 0.06 0.9550.76 0.96 - -00100%1
6REN_IPA_A_305 93% 44% 0.079 0.9720.9 1.26 - -10100%1
6IFB_IPA_A_203 91% 73% 0.075 0.9610.61 0.44 - -10100%1
6ETL_IPA_A_201 90% 75% 0.085 0.9680.38 0.58 - -10100%0.54
8OLJ_IPA_B_306 86% 93% 0.1 0.9680.24 0.26 - -00100%1