8H8S | pdb_00008h8s


EDO: 1,2-ETHANEDIOL

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Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter8H8S_EDO_F_103Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter8H8S_EDO_F_103Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter8H8S_EDO_F_103Click 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
8H8S_EDO_F_103 92% 90% 0.103 0.9940.26 0.36 - -10100%0.5
8H8S_EDO_S_103 85% 96% 0.121 0.9880.2 0.17 - -00100%0.5
8H8S_EDO_B_305 85% 89% 0.121 0.9860.21 0.43 - -00100%0.5
8H8S_EDO_A_613 83% 90% 0.113 0.9730.38 0.22 - -00100%0.5
8H8S_EDO_C_322 82% 100% 0.095 0.9510.13 0.06 - -20100%0.5
8H8S_EDO_T_106 81% 97% 0.118 0.9710.08 0.22 - -00100%0.5
8H8S_EDO_S_102 75% 91% 0.145 0.9790.34 0.23 - -10100%0.5
8H8S_EDO_P_320 74% 92% 0.141 0.9730.33 0.19 - -00100%0.5
8H8S_EDO_R_203 70% 78% 0.146 0.9650.36 0.54 - -00100%0.5
8H8S_EDO_N_610 69% 94% 0.134 0.9480.35 0.08 - -10100%0.5
8H8S_EDO_N_611 69% 90% 0.116 0.9290.25 0.35 - -00100%0.5
8H8S_EDO_O_309 66% 93% 0.14 0.9440.22 0.27 - -00100%0.5
8H8S_EDO_N_613 64% 95% 0.174 0.9750.19 0.21 - -00100%0.5
8H8S_EDO_F_102 62% 87% 0.162 0.9550.49 0.22 - -00100%0.5
8H8S_EDO_G_104 61% 95% 0.15 0.9390.26 0.15 - -00100%0.5
8H8S_EDO_R_202 57% 91% 0.156 0.9310.42 0.16 - -00100%0.5
8H8S_EDO_A_612 56% 75% 0.196 0.970.72 0.26 - -00100%0.5
8H8S_EDO_E_203 53% 93% 0.203 0.9640.23 0.25 - -00100%0.5
8H8S_EDO_N_612 52% 91% 0.203 0.9630.44 0.14 - -00100%0.5
8H8S_EDO_E_202 50% 93% 0.189 0.9410.23 0.24 - -00100%0.5
8H8S_EDO_R_201 48% 86% 0.196 0.940.28 0.44 - -00100%0.5
8H8S_EDO_A_611 44% 90% 0.187 0.9160.19 0.41 - -00100%0.5
8H8S_EDO_A_610 42% 79% 0.166 0.8830.57 0.31 - -00100%0.5
8H8S_EDO_P_319 40% 98% 0.214 0.9270.26 0.04 - -10100%0.5
8H8S_EDO_C_323 36% 55% 0.228 0.9210.85 0.89 - -00100%0.5
8H8S_EDO_P_321 30% 58% 0.231 0.8950.54 1.06 - -00100%0.5
8H8S_EDO_C_321 19% 98% 0.336 0.9360.04 0.21 - -00100%0.5
8H8S_EDO_E_201 15% 77% 0.246 0.8090.37 0.54 - -00100%0.5
8H8S_EDO_N_614 11% 44% 0.325 0.850.65 1.48 - -30100%0.5
5B1B_EDO_B_303 100% 77% 0.04 0.9840.57 0.35 - -00100%1
3AG2_EDO_F_102 100% 66% 0.046 0.9890.9 0.43 - -00100%1
7YPY_EDO_S_106 100% 84% 0.044 0.9850.7 0.08 - -00100%1
5ZCQ_EDO_E_203 98% 62% 0.057 0.9830.5 0.93 - -00100%1
7VVR_EDO_F_102 98% 56% 0.063 0.9891.04 0.66 - -00100%1
2G8S_EDO_A_3016 100% 84% 0.02 0.9920.42 0.35 - -00100%0.5
3DPJ_EDO_B_195 100% 82% 0.022 0.9940.47 0.34 - -10100%1
4EYG_EDO_A_402 100% 81% 0.024 0.9950.44 0.39 - -00100%1
4NMU_EDO_D_206 100% 92% 0.025 0.9970.38 0.14 - -00100%1
4Q6J_EDO_A_302 100% 82% 0.013 0.9990.37 0.42 - -00100%1