Binding information for 2hai_ligand_frag_6.mol2(FDBF01245)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hai_ligand_frag_6.mol2 | 2hai | 1 | -6.46 | C1CCCC1 | 5 |
Structure and binding mode of 2hai_ligand_frag_6.mol2(FDBF01245)
Important binding residues for 2hai_ligand_frag_6.mol2(FDBF01245)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hai | LEU419 | -1.03 | -0.07 | -1.1 | 0.29 | -0.81 |
| 2hai | ARG422 | -1.75 | 0.07 | -1.68 | 0.59 | -1.09 |
| 2hai | MET423 | -0.85 | -0.00 | -0.85 | 0.02 | -0.84 |
| 2hai | LEU497 | -0.37 | 0.00 | -0.37 | -0.00 | -0.38 |
| 2hai | TRP528 | -1.96 | 0.01 | -1.95 | 0.52 | -1.43 |
