Binding information for 4lkt_ligand_3_329.mol2(FDBF00076)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lkt_ligand_3_329.mol2 | 4lkt | 1 | -5.95 | C(=C)CC=C | 5 |
Structure and binding mode of 4lkt_ligand_3_329.mol2(FDBF00076)
Important binding residues for 4lkt_ligand_3_329.mol2(FDBF00076)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lkt | GLY36 | -0.56 | 0.06 | -0.5 | -0.11 | -0.61 |
| 4lkt | ALA78 | -0.62 | 0.11 | -0.51 | -0.10 | -0.60 |
| 4lkt | ASP79 | -0.81 | 0.00 | -0.81 | 0.15 | -0.65 |
