Ligand validation:3M2U


EDO: 1,2-ETHANEDIOL



Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3M2U_EDO_C_251Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3M2U_EDO_C_251Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3M2U_EDO_C_251Click 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
3M2U_EDO_C_251 80% 72% 0.085 0.9320.35 0.71 - -00100%1
3M2U_EDO_D_558 70% 66% 0.092 0.9070.65 0.67 - -20100%1
3M2U_EDO_F_252 58% 76% 0.094 0.8710.55 0.4 - -00100%1
3M2U_EDO_F_251 57% 73% 0.091 0.8630.55 0.5 - -00100%1
3M2U_EDO_A_557 45% 93% 0.093 0.8220.38 0.1 - -00100%1
3M2U_EDO_D_557 42% 86% 0.11 0.8260.62 0.11 - -00100%1
3M2U_EDO_A_558 13% 66% 0.203 0.7460.51 0.8 - -10100%1
3M2R_EDO_D_556 51% 71% 0.093 0.8460.56 0.57 - -00100%1
6ANS_EDO_A_404 100% 89% 0.029 0.9950.57 0.07 - -00100%1
4ITB_EDO_A_503 100% 88% 0.028 0.990.38 0.29 - -00100%1
4FQI_EDO_A_401 100% 85% 0.032 0.9920.46 0.29 - -00100%1
4KXW_EDO_A_1003 100% 73% 0.033 0.9930.64 0.4 - -00100%1
8JK3_EDO_A_304 100% 81% 0.033 0.9920.22 0.58 - -00100%1