Binding information for 4gb9_ligand_2_0.mol2(FDBF02151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gb9_ligand_2_0.mol2 | 4gb9 | 0.96 | -5.89 | [N@@H+]1(CC[C@@H](CC1)C(O)(C)C)C | 11 |
Structure and binding mode of 4gb9_ligand_2_0.mol2(FDBF02151)
Important binding residues for 4gb9_ligand_2_0.mol2(FDBF02151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gb9 | TRP812 | -1.19 | -17.71 | -18.9 | 17.60 | -1.31 |
