Binding information for 1eas_ligand_3_15.mol2(FDBF00782)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1eas_ligand_3_15.mol2 | 1eas | 1 | -6.19 | C(=O)N[C@@H](C(C)C)CO | 9 |
Structure and binding mode of 1eas_ligand_3_15.mol2(FDBF00782)
Important binding residues for 1eas_ligand_3_15.mol2(FDBF00782)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1eas | HIS57 | -0.97 | 0.74 | -0.23 | -0.66 | -0.90 |
| 1eas | CYS191 | -0.85 | -1.23 | -2.08 | 0.64 | -1.44 |
| 1eas | GLN192 | -2.18 | -2.98 | -5.16 | 2.84 | -2.32 |
| 1eas | SER214 | -0.85 | -2.49 | -3.34 | 2.99 | -0.35 |
| 1eas | PHE215 | -1.00 | -0.13 | -1.13 | 0.42 | -0.71 |
| 1eas | VAL216 | -0.50 | -0.08 | -0.58 | 0.16 | -0.42 |
