Binding information for 1vj9_ligand_4_56.mol2(FDBF03398)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vj9_ligand_4_56.mol2 | 1vj9 | 1 | -5.10 | C(=O)(N)CCOC | 7 |
Structure and binding mode of 1vj9_ligand_4_56.mol2(FDBF03398)
Important binding residues for 1vj9_ligand_4_56.mol2(FDBF03398)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vj9 | HIS99 | -0.95 | -1.30 | -2.25 | 1.68 | -0.57 |
| 1vj9 | GLN192 | -0.42 | 0.01 | -0.41 | 0.03 | -0.38 |
| 1vj9 | SER214 | -0.27 | -2.98 | -3.25 | 2.35 | -0.90 |
| 1vj9 | TRP215 | -0.68 | 0.00 | -0.68 | 0.32 | -0.35 |
