Binding information for 1mmr_ligand_4_11.mol2(FDBF00185)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mmr_ligand_4_11.mol2 | 1mmr | 1 | -6.77 | C(=O)(N)[C@@H](C)CC(C)C | 9 |
Structure and binding mode of 1mmr_ligand_4_11.mol2(FDBF00185)
Important binding residues for 1mmr_ligand_4_11.mol2(FDBF00185)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mmr | THR180 | -0.77 | -2.21 | -2.98 | 0.95 | -2.03 |
| 1mmr | LEU181 | -1.18 | -3.28 | -4.46 | 1.33 | -3.12 |
| 1mmr | ALA215 | -0.58 | -0.12 | -0.7 | 0.28 | -0.42 |
| 1mmr | PRO238 | -0.22 | -2.64 | -2.86 | 2.44 | -0.42 |
| 1mmr | TYR240 | -1.06 | -0.01 | -1.07 | 0.25 | -0.83 |
