Binding information for 5am0_ligand_frag_1.mol2(FDBF00209)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5am0_ligand_frag_1.mol2 | 5am0 | 1 | -6.14 | C1CCC[NH+]1C | 6 |
Structure and binding mode of 5am0_ligand_frag_1.mol2(FDBF00209)
Important binding residues for 5am0_ligand_frag_1.mol2(FDBF00209)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5am0 | TYR383 | -1.33 | -0.58 | -1.91 | 1.16 | -0.75 |
| 5am0 | LEU408 | -0.75 | -0.04 | -0.79 | 0.06 | -0.73 |
| 5am0 | LEU417 | -0.35 | -0.05 | -0.4 | 0.05 | -0.36 |
| 5am0 | MET419 | -0.50 | -0.14 | -0.64 | 0.09 | -0.55 |
| 5am0 | LEU428 | -0.54 | -0.46 | -1 | 0.60 | -0.39 |
