Binding information for 2o5k_ligand_2_14.mol2(FDBF07600)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o5k_ligand_2_14.mol2 | 2o5k | 0.644444 | -6.06 | c1(ccc(cc1)NS(=O)(=O)C)C | 12 |
Structure and binding mode of 2o5k_ligand_2_14.mol2(FDBF07600)
Important binding residues for 2o5k_ligand_2_14.mol2(FDBF07600)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o5k | ARG141 | -1.18 | -3.66 | -4.84 | 4.38 | -0.46 |
| 2o5k | ARG220 | 0.20 | -8.22 | -8.02 | 5.82 | -2.21 |
