Binding information for 2olb_ligand_1_5.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2olb_ligand_1_5.mol2 | 2olb | 1 | -5.49 | C(=O)NC | 4 |
Structure and binding mode of 2olb_ligand_1_5.mol2(FDBF00024)
Important binding residues for 2olb_ligand_1_5.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2olb | GLU32 | 0.04 | -5.58 | -5.54 | 4.90 | -0.64 |
| 2olb | GLY33 | -0.46 | -0.31 | -0.77 | 0.34 | -0.43 |
| 2olb | VAL34 | -0.42 | -0.23 | -0.65 | 0.22 | -0.43 |
| 2olb | TRP416 | -1.71 | -1.72 | -3.43 | 0.85 | -2.57 |
| 2olb | CYS417 | -0.47 | -1.57 | -2.04 | 0.52 | -1.52 |
