Binding information for 2v77_ligand_2_12.mol2(FDBF00047)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v77_ligand_2_12.mol2 | 2v77 | 1 | -6.21 | C(C(=O)O)(C)C | 6 |
Structure and binding mode of 2v77_ligand_2_12.mol2(FDBF00047)
Important binding residues for 2v77_ligand_2_12.mol2(FDBF00047)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v77 | HIS69 | -0.37 | 27.58 | 27.21 | -27.80 | -0.59 |
| 2v77 | GLU72 | -0.69 | 64.54 | 63.85 | -66.99 | -3.14 |
| 2v77 | ARG127 | -0.18 | -21.86 | -22.04 | 18.96 | -3.08 |
| 2v77 | HIS196 | -0.76 | 3.93 | 3.17 | -5.51 | -2.34 |
| 2v77 | ILE247 | -0.51 | -0.83 | -1.34 | 0.73 | -0.61 |
