Binding information for 2c1q_ligand_frag_0.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1q_ligand_frag_0.mol2 | 2c1q | 1 | -5.95 | C(=O)(O)C | 4 |
Structure and binding mode of 2c1q_ligand_frag_0.mol2(FDBF00004)
Important binding residues for 2c1q_ligand_frag_0.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1q | THR38 | -0.80 | -0.67 | -1.47 | 0.84 | -0.63 |
| 2c1q | ALA39 | -0.09 | -7.90 | -7.99 | 4.54 | -3.45 |
| 2c1q | THR40 | -0.59 | -3.25 | -3.84 | 2.92 | -0.91 |
| 2c1q | ILE44 | -0.05 | -18.78 | -18.83 | 18.51 | -0.32 |
| 2c1q | TRP71 | -1.08 | -0.57 | -1.65 | 0.97 | -0.67 |
| 2c1q | PHE73 | -0.52 | -0.64 | -1.16 | 0.74 | -0.42 |
| 2c1q | ALA74 | -0.49 | -1.70 | -2.19 | 1.52 | -0.66 |
| 2c1q | SER76 | 0.72 | -11.96 | -11.24 | 10.03 | -1.21 |
| 2c1q | LEU100 | -0.78 | -1.70 | -2.48 | 1.35 | -1.13 |
| 2c1q | ARG115 | -0.04 | -38.25 | -38.29 | 37.88 | -0.42 |
