Binding information for 2v25_ligand_frag_1.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v25_ligand_frag_1.mol2 | 2v25 | 1 | -5.95 | CC(=O)O | 4 |
Structure and binding mode of 2v25_ligand_frag_1.mol2(FDBF00004)
Important binding residues for 2v25_ligand_frag_1.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v25 | LYS19 | -0.19 | -35.62 | -35.81 | 29.01 | -6.80 |
| 2v25 | ASN63 | -0.08 | -1.77 | -1.85 | 1.35 | -0.50 |
| 2v25 | ALA64 | -0.33 | -2.15 | -2.48 | 2.04 | -0.44 |
| 2v25 | ARG67 | 0.30 | -30.99 | -30.69 | 23.31 | -7.38 |
| 2v25 | ALA131 | -0.32 | -2.17 | -2.49 | 2.18 | -0.31 |
| 2v25 | TYR156 | 0.76 | 5.13 | 5.89 | -7.09 | -1.20 |
| 2v25 | VAL173 | -0.35 | -1.82 | -2.17 | 1.56 | -0.61 |
| 2v25 | ILE177 | -0.64 | 16.62 | 15.98 | -16.33 | -0.35 |
