Binding information for 2r4f_ligand_4_175.mol2(FDBF00156)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r4f_ligand_4_175.mol2 | 2r4f | 1 | -5.98 | [C@@H](O)(CC)CCO | 7 |
Structure and binding mode of 2r4f_ligand_4_175.mol2(FDBF00156)
Important binding residues for 2r4f_ligand_4_175.mol2(FDBF00156)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2r4f | ARG590 | -0.49 | -6.15 | -6.64 | 3.83 | -2.81 |
| 2r4f | LYS691 | -0.22 | -4.21 | -4.43 | 0.84 | -3.60 |
| 2r4f | HIS752 | -0.82 | 0.38 | -0.44 | 0.09 | -0.36 |
| 2r4f | ASN755 | -0.10 | -2.48 | -2.58 | -0.26 | -2.84 |
| 2r4f | LEU853 | -1.09 | 0.01 | -1.08 | -0.09 | -1.18 |
