Binding information for 2v77_ligand_2_5.mol2(FDBF00047)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v77_ligand_2_5.mol2 | 2v77 | 1 | -6.37 | C(C(=O)O)(C)C | 6 |
Structure and binding mode of 2v77_ligand_2_5.mol2(FDBF00047)
Important binding residues for 2v77_ligand_2_5.mol2(FDBF00047)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v77 | HIS69 | -0.06 | 13.02 | 12.96 | -14.20 | -1.24 |
| 2v77 | ARG127 | -0.71 | -25.69 | -26.4 | 21.81 | -4.58 |
| 2v77 | ASN144 | -0.30 | -9.74 | -10.04 | 5.26 | -4.79 |
| 2v77 | ARG145 | 0.97 | -36.38 | -35.41 | 24.50 | -10.91 |
| 2v77 | HIS196 | -0.58 | -0.09 | -0.67 | -0.18 | -0.85 |
| 2v77 | ILE243 | -0.29 | -0.16 | -0.45 | 0.11 | -0.35 |
| 2v77 | ILE247 | -0.51 | -1.17 | -1.68 | 1.07 | -0.61 |
