ROC: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

ROC is a Ligand Of Interest in 5KR2 designated by the RCSB


Best-fitted instance in this entry
Other instances in this entry
Best-fitted instance in this entry
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
5KR2_ROC_A_101 65% 32% 0.109 0.9121.67 1.15 6 800100%1
5KR2_ROC_C_101 61% 31% 0.113 0.9011.63 1.22 5 820100%1
3UFN_ROC_A_401 96% 25% 0.067 0.9791.32 1.88 1 1100100%1
3S56_ROC_A_201 94% 28% 0.07 0.9671.51 1.5 9 1520100%1
2NNP_ROC_A_401 91% 34% 0.075 0.961.13 1.59 5 1400100%1
3TKG_ROC_B_801 88% 48% 0.088 0.9620.81 1.21 2 790100%0.54
3D1X_ROC_A_201 85% 46% 0.107 0.9740.97 1.12 3 440100%0.75