Binding information for 1g5s_ligand_frag_0.mol2(FDBF01245)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g5s_ligand_frag_0.mol2 | 1g5s | 1 | -6.48 | C1CCCC1 | 5 |
Structure and binding mode of 1g5s_ligand_frag_0.mol2(FDBF01245)
Important binding residues for 1g5s_ligand_frag_0.mol2(FDBF01245)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g5s | VAL18 | -0.53 | 0.00 | -0.53 | -0.11 | -0.63 |
| 1g5s | ALA31 | -0.58 | 0.00 | -0.58 | -0.01 | -0.59 |
| 1g5s | LYS33 | -0.61 | 0.05 | -0.56 | 0.17 | -0.39 |
| 1g5s | PHE80 | -1.58 | 0.05 | -1.53 | 0.30 | -1.22 |
| 1g5s | LEU134 | -0.44 | 0.00 | -0.44 | -0.05 | -0.49 |
