Binding information for 4e1m_ligand_1_3.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4e1m_ligand_1_3.mol2 | 4e1m | 1 | -6.15 | C(C)(C)(C)O | 5 |
Structure and binding mode of 4e1m_ligand_1_3.mol2(FDBF00042)
Important binding residues for 4e1m_ligand_1_3.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4e1m | HIS171 | -0.56 | -0.89 | -1.45 | 0.73 | -0.72 |
