Binding information for 1w14_ligand_4_986.mol2(FDBF00782)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w14_ligand_4_986.mol2 | 1w14 | 1 | -5.87 | C(=O)N[C@H](CO)CC | 8 |
Structure and binding mode of 1w14_ligand_4_986.mol2(FDBF00782)
Important binding residues for 1w14_ligand_4_986.mol2(FDBF00782)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w14 | HIS57 | -0.16 | -3.30 | -3.46 | 2.07 | -1.38 |
| 1w14 | CYS191 | -0.84 | -0.39 | -1.23 | 0.59 | -0.64 |
| 1w14 | GLN192 | -1.15 | -4.03 | -5.18 | 3.39 | -1.78 |
| 1w14 | SER214 | -0.48 | -3.15 | -3.63 | 2.91 | -0.73 |
| 1w14 | TRP215 | -0.96 | 0.11 | -0.85 | 0.25 | -0.60 |
