Binding information for 3ggv_ligand_1_15.mol2(FDBF00799)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ggv_ligand_1_15.mol2 | 3ggv | 0.821429 | -5.95 | c1(cccc(n1)C(O)(C)C)C | 11 |
Structure and binding mode of 3ggv_ligand_1_15.mol2(FDBF00799)
Important binding residues for 3ggv_ligand_1_15.mol2(FDBF00799)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ggv | PRO81 | -1.01 | -0.12 | -1.13 | 0.45 | -0.67 |
