Binding information for 2r4f_ligand_2_30.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r4f_ligand_2_30.mol2 | 2r4f | 1 | -5.93 | CC(O)C | 4 |
Structure and binding mode of 2r4f_ligand_2_30.mol2(FDBF00042)
Important binding residues for 2r4f_ligand_2_30.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2r4f | LYS691 | -0.19 | -5.67 | -5.86 | 2.62 | -3.23 |
| 2r4f | ASN755 | -0.03 | -2.57 | -2.6 | -0.07 | -2.67 |
| 2r4f | LEU853 | -0.74 | -0.06 | -0.8 | -0.03 | -0.83 |
