Binding information for 2q2c_ligand_1_1.mol2(FDBF01113)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q2c_ligand_1_1.mol2 | 2q2c | 0.913043 | -6.07 | c1([nH+]c[nH]c1)C | 6 |
Structure and binding mode of 2q2c_ligand_1_1.mol2(FDBF01113)
Important binding residues for 2q2c_ligand_1_1.mol2(FDBF01113)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q2c | THR135 | -0.68 | 0.60 | -0.08 | -0.22 | -0.31 |
