Binding information for 2q1l_ligand_4_175.mol2(FDBF00156)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q1l_ligand_4_175.mol2 | 2q1l | 1 | -5.98 | CC[C@H](CCO)O | 7 |
Structure and binding mode of 2q1l_ligand_4_175.mol2(FDBF00156)
Important binding residues for 2q1l_ligand_4_175.mol2(FDBF00156)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q1l | HIS752 | -0.81 | 0.24 | -0.57 | 0.12 | -0.44 |
| 2q1l | ASN755 | -0.68 | -1.56 | -2.24 | -0.30 | -2.54 |
| 2q1l | LEU853 | -0.90 | 0.03 | -0.87 | -0.12 | -1.00 |
| 2q1l | ARG590 | -0.13 | -6.29 | -6.42 | 4.05 | -2.37 |
| 2q1l | MET657 | -0.49 | -0.13 | -0.62 | 0.21 | -0.41 |
| 2q1l | LYS691 | 0.06 | -4.62 | -4.56 | 0.92 | -3.64 |
