Binding information for 4bt5_ligand_frag_1.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bt5_ligand_frag_1.mol2 | 4bt5 | 1 | -5.74 | C(O)C | 3 |
Structure and binding mode of 4bt5_ligand_frag_1.mol2(FDBF00041)
Important binding residues for 4bt5_ligand_frag_1.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bt5 | LEU62 | -0.52 | 0.65 | 0.13 | -0.48 | -0.34 |
| 4bt5 | ARG145 | 0.96 | -6.55 | -5.59 | 2.64 | -2.94 |
| 4bt5 | HIS207 | -0.29 | 0.38 | 0.09 | -0.61 | -0.52 |
