Ligand validation:4QW4


3BV: N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide

3BV is a Ligand Of Interest in 4QW4 designated by the RCSB


Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter4QW4_3BV_Y_301Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter4QW4_3BV_Y_301Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter4QW4_3BV_Y_301Click 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
4QW4_3BV_Y_301 62% 27% 0.161 0.9541.14 1.78 3 1100100%1
4QW4_3BV_K_301 58% 27% 0.173 0.9531.14 1.77 3 1010100%1
4QW4_3BV_V_301 51% 33% 0.195 0.9491.16 1.47 3 830100%1
4QW4_3BV_H_301 41% 33% 0.208 0.9261.19 1.47 3 820100%1
4QW4_3BV_b_201 41% 30% 0.203 0.921.33 1.44 4 700100%1
4QW4_3BV_N_201 30% 30% 0.229 0.8931.35 1.44 3 700100%1
4QWG_3BV_Y_301 55% 24% 0.157 0.9241.21 1.86 3 1110100%1
4QWS_3BV_Y_301 51% 31% 0.186 0.9411.12 1.61 3 1010100%1
5FGI_3BV_Y_301 51% 24% 0.182 0.9361.51 1.59 4 870100%1
4QW5_3BV_Y_301 51% 31% 0.188 0.9421.11 1.64 3 950100%1
5CZ5_3BV_Y_301 50% 26% 0.181 0.9311.35 1.65 3 610100%1
4R67_3BV_L_301 70% 10% 0.108 0.9242.45 1.95 13 18 00100%1