D4A: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
D4A is a Ligand Of Interest in 6BB3 designated by the RCSB
| Best-fitted instance in this entry |
| Other instances in this entry |
Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
6BB3_D4A_A_404 | 75% | 47% | 0.113 | 0.946 | 1.09 | 0.97 | 3 | 1 | 1 | 0 | 100% | 1 |
6BB3_D4A_D_403 | 73% | 48% | 0.112 | 0.939 | 1.08 | 0.92 | 3 | 2 | 0 | 0 | 100% | 1 |
6BB3_D4A_C_404 | 71% | 46% | 0.122 | 0.943 | 1.06 | 1.04 | 3 | 3 | 0 | 0 | 100% | 1 |
6BB3_D4A_B_404 | 63% | 47% | 0.128 | 0.923 | 1.13 | 0.94 | 3 | 2 | 0 | 0 | 100% | 1 |