Binding information for 2o5k_ligand_frag_0.mol2(FDBF00358)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o5k_ligand_frag_0.mol2 | 2o5k | 0.863636 | -6.68 | c1cc2c(c(c1)O)[nH+]c[nH]2 | 10 |
Structure and binding mode of 2o5k_ligand_frag_0.mol2(FDBF00358)
Important binding residues for 2o5k_ligand_frag_0.mol2(FDBF00358)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o5k | ILE62 | -0.52 | -0.11 | -0.63 | 0.08 | -0.55 |
| 2o5k | VAL70 | -1.01 | -0.42 | -1.43 | -0.07 | -1.50 |
| 2o5k | ALA83 | -0.79 | 0.05 | -0.74 | -0.12 | -0.85 |
| 2o5k | LEU132 | -0.73 | -0.32 | -1.05 | 0.17 | -0.89 |
| 2o5k | VAL135 | -1.02 | -3.40 | -4.42 | 2.68 | -1.75 |
| 2o5k | LEU188 | -1.50 | -0.15 | -1.65 | -0.13 | -1.78 |
| 2o5k | CYS199 | -0.61 | -0.51 | -1.12 | 0.71 | -0.41 |
