S1S: 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID
S1S is a Ligand Of Interest in 2AOB 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 same 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 |
|---|
| 2AOB_S1S_C_2401 | 68% | 6% | 0.118 | 0.929 | 1.3 | 3.81 | 4 | 22 | 1 | 0 | 100% | 1 |
| 2AOB_S1S_A_1401 | 65% | 7% | 0.121 | 0.924 | 1.39 | 3.55 | 7 | 25 | 3 | 2 | 100% | 1 |
| 2AOB_S1S_D_2301 | 65% | 4% | 0.116 | 0.918 | 1.58 | 4.23 | 7 | 25 | 0 | 2 | 100% | 1 |
| 2AOB_S1S_B_1301 | 64% | 4% | 0.114 | 0.913 | 1.76 | 4.02 | 12 | 24 | 2 | 2 | 100% | 1 |
| 2AOB_S1S_A_1201 | 62% | 11% | 0.123 | 0.914 | 1.31 | 2.97 | 5 | 17 | 1 | 2 | 100% | 1 |
| 2AOB_S1S_C_2201 | 56% | 7% | 0.12 | 0.892 | 1.24 | 3.64 | 3 | 23 | 2 | 2 | 100% | 1 |
| 2AOB_S1S_C_2601 | 38% | 20% | 0.174 | 0.877 | 1.3 | 2.2 | 6 | 16 | 4 | 1 | 100% | 1 |
| 2AOB_S1S_A_1601 | 37% | 12% | 0.168 | 0.863 | 1.19 | 3.08 | 3 | 16 | 6 | 1 | 100% | 1 |
| 2AOB_S1S_D_2701 | 23% | 4% | 0.193 | 0.816 | 1.68 | 4.16 | 12 | 20 | 0 | 1 | 100% | 1 |
| 2AOB_S1S_A_1701 | 21% | 3% | 0.197 | 0.802 | 1.62 | 4.45 | 11 | 27 | 0 | 1 | 100% | 1 |
| 2AOB_S1S_A_1501 | 17% | 22% | 0.209 | 0.79 | 1.32 | 2.09 | 6 | 16 | 3 | 1 | 100% | 1 |
| 2AOB_S1S_C_2501 | 15% | 14% | 0.232 | 0.791 | 1.48 | 2.53 | 6 | 24 | 2 | 1 | 100% | 1 |
| 2AOA_S1S_B_301 | 70% | 4% | 0.115 | 0.932 | 2.41 | 3.45 | 23 | 30 | 3 | 1 | 100% | 1 |
