Binding information for 4gb9_ligand_1_1.mol2(FDBF04078)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gb9_ligand_1_1.mol2 | 4gb9 | 1 | -5.80 | [NH2+]1CCC(CC1)C(O)(C)C | 10 |
Structure and binding mode of 4gb9_ligand_1_1.mol2(FDBF04078)
Important binding residues for 4gb9_ligand_1_1.mol2(FDBF04078)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gb9 | TRP812 | -1.14 | -18.20 | -19.34 | 17.78 | -1.56 |
