Binding information for 2r4f_ligand_1_5.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r4f_ligand_1_5.mol2 | 2r4f | 1 | -5.63 | C(O)C | 3 |
Structure and binding mode of 2r4f_ligand_1_5.mol2(FDBF00041)
Important binding residues for 2r4f_ligand_1_5.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2r4f | LYS691 | -0.12 | -5.76 | -5.88 | 2.82 | -3.07 |
| 2r4f | ASN755 | 0.07 | -2.37 | -2.3 | -0.11 | -2.40 |
| 2r4f | LEU853 | -0.37 | -0.05 | -0.42 | -0.03 | -0.44 |
