Binding information for 1vj9_ligand_5_178.mol2(FDBF03398)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vj9_ligand_5_178.mol2 | 1vj9 | 0.76 | -5.23 | C(=O)(NC)CCOC | 8 |
Structure and binding mode of 1vj9_ligand_5_178.mol2(FDBF03398)
Important binding residues for 1vj9_ligand_5_178.mol2(FDBF03398)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vj9 | HIS57 | -1.15 | 0.47 | -0.68 | 0.28 | -0.40 |
| 1vj9 | HIS99 | -0.96 | -1.29 | -2.25 | 1.72 | -0.54 |
| 1vj9 | GLN192 | -0.71 | 0.00 | -0.71 | 0.16 | -0.56 |
| 1vj9 | SER214 | -0.45 | -2.90 | -3.35 | 2.50 | -0.86 |
| 1vj9 | TRP215 | -0.84 | -0.04 | -0.88 | 0.37 | -0.50 |
