CEL: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
CEL is a Ligand Of Interest in 3KK6 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) |
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 |
3KK6_CEL_A_701 | 67% | 3% | 0.162 | 0.971 | 3.98 | 2.04 | 9 | 8 | 9 | 0 | 100% | 1 |
3KK6_CEL_B_1701 | 17% | 2% | 0.364 | 0.947 | 4.28 | 2.53 | 10 | 11 | 8 | 0 | 100% | 0.5 |
3LN1_CEL_C_682 | 95% | 23% | 0.064 | 0.968 | 1.63 | 1.56 | 5 | 7 | 2 | 0 | 100% | 1 |
1OQ5_CEL_A_701 | 75% | 30% | 0.112 | 0.946 | 1.32 | 1.45 | 3 | 4 | 0 | 0 | 100% | 1 |
5JW1_CEL_A_602 | 74% | 13% | 0.134 | 0.964 | 1.25 | 2.69 | 4 | 10 | 1 | 0 | 100% | 1 |
7ZEJ_CEL_B_402 | 31% | 10% | 0.167 | 0.836 | 1.84 | 2.43 | 6 | 11 | 3 | 0 | 100% | 1 |
4FIM_CEL_A_711 | 0% | 8% | 0.554 | 0.407 | 2.32 | 2.23 | 7 | 11 | 4 | 0 | 100% | 1 |