Binding information for 3ggv_ligand_frag_13.mol2(FDBF00800)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ggv_ligand_frag_13.mol2 | 3ggv | 0.793103 | -5.79 | c1cccc(n1)C(O)(C)C | 10 |
Structure and binding mode of 3ggv_ligand_frag_13.mol2(FDBF00800)
Important binding residues for 3ggv_ligand_frag_13.mol2(FDBF00800)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ggv | PRO81 | -1.00 | -0.12 | -1.12 | 0.45 | -0.67 |
