Binding information for 1inc_ligand_2_7.mol2(FDBF07594)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1inc_ligand_2_7.mol2 | 1inc | 1 | -5.84 | N(C(=O)O)CC(C)C | 8 |
Structure and binding mode of 1inc_ligand_2_7.mol2(FDBF07594)
Important binding residues for 1inc_ligand_2_7.mol2(FDBF07594)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1inc | CYS58 | -0.52 | 0.42 | -0.1 | -0.24 | -0.35 |
| 1inc | GLN192 | -1.02 | -13.76 | -14.78 | 9.30 | -5.48 |
| 1inc | GLY193 | -0.76 | -1.88 | -2.64 | 1.95 | -0.69 |
