Binding information for 2c1q_ligand_1_0.mol2(FDBF00047)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1q_ligand_1_0.mol2 | 2c1q | 1 | -6.21 | CCC(=O)O | 5 |
Structure and binding mode of 2c1q_ligand_1_0.mol2(FDBF00047)
Important binding residues for 2c1q_ligand_1_0.mol2(FDBF00047)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1q | THR35 | -0.27 | -1.61 | -1.88 | 1.52 | -0.36 |
| 2c1q | THR38 | -1.11 | -0.68 | -1.79 | 0.81 | -0.98 |
| 2c1q | ALA39 | -0.11 | -7.92 | -8.03 | 4.42 | -3.61 |
| 2c1q | THR40 | -0.63 | -3.27 | -3.9 | 2.93 | -0.97 |
| 2c1q | ILE44 | -0.09 | -18.80 | -18.89 | 18.53 | -0.36 |
| 2c1q | TRP71 | -1.56 | -0.51 | -2.07 | 1.13 | -0.93 |
| 2c1q | PHE73 | -0.73 | -0.67 | -1.4 | 0.79 | -0.61 |
| 2c1q | ALA74 | -0.52 | -1.67 | -2.19 | 1.50 | -0.69 |
| 2c1q | SER76 | 0.66 | -11.76 | -11.1 | 9.95 | -1.16 |
| 2c1q | LEU100 | -0.89 | -1.69 | -2.58 | 1.32 | -1.27 |
| 2c1q | ARG115 | -0.05 | -38.16 | -38.21 | 37.82 | -0.39 |
