Binding information for 3iph_ligand_frag_4.mol2(FDBF00259)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3iph_ligand_frag_4.mol2 | 3iph | 1 | -6.06 | C1CC1 | 3 |
Structure and binding mode of 3iph_ligand_frag_4.mol2(FDBF00259)
Important binding residues for 3iph_ligand_frag_4.mol2(FDBF00259)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3iph | LEU74 | -0.47 | 0.01 | -0.46 | -0.06 | -0.53 |
| 3iph | LEU75 | -0.50 | 0.02 | -0.48 | -0.03 | -0.51 |
| 3iph | PHE169 | -1.32 | -0.02 | -1.34 | 0.94 | -0.40 |
| 3iph | LEU171 | -0.66 | -0.09 | -0.75 | 0.19 | -0.56 |
