Binding information for 4kin_ligand_frag_3.mol2(FDBF00259)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kin_ligand_frag_3.mol2 | 4kin | 1 | -6.08 | C1CC1 | 3 |
Structure and binding mode of 4kin_ligand_frag_3.mol2(FDBF00259)
Important binding residues for 4kin_ligand_frag_3.mol2(FDBF00259)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kin | LEU74 | -0.62 | -0.00 | -0.62 | -0.08 | -0.70 |
| 4kin | LEU75 | -0.33 | 0.02 | -0.31 | -0.02 | -0.33 |
| 4kin | LEU171 | -0.70 | -0.01 | -0.71 | 0.05 | -0.66 |
