Binding information for 2hm1_ligand_3_12.mol2(FDBF00325)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hm1_ligand_3_12.mol2 | 2hm1 | 1 | -5.45 | C(CC)[S](O)O | 6 |
Structure and binding mode of 2hm1_ligand_3_12.mol2(FDBF00325)
Important binding residues for 2hm1_ligand_3_12.mol2(FDBF00325)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hm1 | GLY13 | -0.38 | 0.69 | 0.31 | -0.71 | -0.41 |
| 2hm1 | ILE110 | -0.22 | -14.80 | -15.02 | 14.60 | -0.43 |
| 2hm1 | ASP228 | -0.05 | -21.80 | -21.85 | 21.52 | -0.32 |
| 2hm1 | GLY230 | -0.57 | -3.87 | -4.44 | 4.06 | -0.38 |
