Binding information for 2o5k_ligand_3_19.mol2(FDBF03212)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o5k_ligand_3_19.mol2 | 2o5k | 0.540541 | -6.23 | CCc1ccc(cc1)NS(=O)(=O)C | 13 |
Structure and binding mode of 2o5k_ligand_3_19.mol2(FDBF03212)
Important binding residues for 2o5k_ligand_3_19.mol2(FDBF03212)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o5k | VAL70 | -0.30 | -0.02 | -0.32 | -0.08 | -0.40 |
| 2o5k | ARG141 | -1.21 | -3.62 | -4.83 | 4.39 | -0.43 |
| 2o5k | ARG220 | 0.17 | -8.18 | -8.01 | 5.76 | -2.25 |
