Ligand validation:5ESB


SU3: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide

SU3 is a Ligand Of Interest in 5ESB designated by the RCSB


Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter5ESB_SU3_A_1204Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter5ESB_SU3_A_1204Click 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)
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
5ESB_SU3_A_1204 65% 2% 0.118 0.9193.86 2.9 20 20 22100%1
3SU3_SU3_A_1 96% 23% 0.064 0.9741.29 1.85 5 1202100%1
3SU5_SU3_A_1 94% 20% 0.071 0.9691.35 2.03 6 1502100%1
3SU4_SU3_A_1 88% 15% 0.097 0.9731.34 2.38 3 1512100%1
3SU6_SU3_A_1 85% 28% 0.104 0.9690.96 1.9 3 902100%1