Binding information for 3bc5_ligand_frag_6.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bc5_ligand_frag_6.mol2 | 3bc5 | 1 | -6.84 | c1ccccc1 | 6 |
Structure and binding mode of 3bc5_ligand_frag_6.mol2(FDBF00005)
Important binding residues for 3bc5_ligand_frag_6.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bc5 | ILE281 | -0.93 | -0.09 | -1.02 | -0.18 | -1.20 |
| 3bc5 | CYS285 | -0.55 | -0.03 | -0.58 | 0.27 | -0.31 |
| 3bc5 | PHE360 | -1.14 | 0.13 | -1.01 | 0.32 | -0.69 |
| 3bc5 | PHE363 | -1.45 | -0.08 | -1.53 | 0.18 | -1.35 |
| 3bc5 | MET364 | -0.70 | -0.12 | -0.82 | 0.25 | -0.56 |
