Binding information for 2c1q_ligand_2_0.mol2(FDBF00061)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1q_ligand_2_0.mol2 | 2c1q | 1 | -6.47 | CCCC(=O)O | 6 |
Structure and binding mode of 2c1q_ligand_2_0.mol2(FDBF00061)
Important binding residues for 2c1q_ligand_2_0.mol2(FDBF00061)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1q | THR35 | -0.38 | -1.64 | -2.02 | 1.54 | -0.49 |
| 2c1q | THR38 | -1.16 | -0.69 | -1.85 | 0.80 | -1.04 |
| 2c1q | ALA39 | -0.15 | -7.93 | -8.08 | 4.37 | -3.72 |
| 2c1q | THR40 | -0.65 | -3.17 | -3.82 | 2.84 | -0.97 |
| 2c1q | ILE44 | -0.10 | -18.86 | -18.96 | 18.58 | -0.39 |
| 2c1q | TRP71 | -1.95 | -0.49 | -2.44 | 1.34 | -1.11 |
| 2c1q | PHE73 | -0.75 | -0.67 | -1.42 | 0.82 | -0.61 |
| 2c1q | ALA74 | -0.54 | -1.67 | -2.21 | 1.49 | -0.72 |
| 2c1q | SER76 | 0.66 | -11.81 | -11.15 | 9.99 | -1.16 |
| 2c1q | LEU100 | -1.14 | -1.69 | -2.83 | 1.27 | -1.56 |
| 2c1q | ARG115 | -0.06 | -38.16 | -38.22 | 37.85 | -0.36 |
