Binding information for 2wva_ligand_frag_2.mol2(FDBF04868)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wva_ligand_frag_2.mol2 | 2wva | 0.333333 | -5.58 | P(O)O | 3 |
Structure and binding mode of 2wva_ligand_frag_2.mol2(FDBF04868)
Important binding residues for 2wva_ligand_frag_2.mol2(FDBF04868)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wva | VAL438 | -0.11 | -0.13 | -0.24 | -0.19 | -0.44 |
| 2wva | GLY439 | -0.31 | -1.88 | -2.19 | 1.32 | -0.87 |
| 2wva | GLY441 | -0.77 | -0.45 | -1.22 | 0.18 | -1.03 |
| 2wva | SER442 | -0.05 | -3.68 | -3.73 | 1.46 | -2.27 |
| 2wva | ILE465 | -0.11 | 0.51 | 0.4 | -0.72 | -0.32 |
| 2wva | ASN467 | -0.27 | 0.48 | 0.21 | -0.95 | -0.74 |
| 2wva | GLY469 | 1.13 | -2.46 | -1.33 | 0.74 | -0.60 |
| 2wva | TYR470 | -0.71 | 0.01 | -0.7 | 0.09 | -0.61 |
