Binding information for 4kiq_ligand_frag_2.mol2(FDBF00259)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kiq_ligand_frag_2.mol2 | 4kiq | 1 | -6.08 | C1CC1 | 3 |
Structure and binding mode of 4kiq_ligand_frag_2.mol2(FDBF00259)
Important binding residues for 4kiq_ligand_frag_2.mol2(FDBF00259)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kiq | LEU74 | -0.63 | -0.00 | -0.63 | -0.08 | -0.71 |
| 4kiq | LEU75 | -0.72 | 0.02 | -0.7 | -0.03 | -0.73 |
| 4kiq | LEU171 | -0.75 | -0.01 | -0.76 | 0.06 | -0.71 |
