Binding information for 2vj8_ligand_2_34.mol2(FDBF00241)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj8_ligand_2_34.mol2 | 2vj8 | 1 | -6.11 | CC(C)[NH3+] | 4 |
Structure and binding mode of 2vj8_ligand_2_34.mol2(FDBF00241)
Important binding residues for 2vj8_ligand_2_34.mol2(FDBF00241)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj8 | GLN136 | 0.73 | -11.14 | -10.41 | 6.52 | -3.90 |
| 2vj8 | TYR267 | -0.72 | 0.62 | -0.1 | -0.54 | -0.64 |
| 2vj8 | MET270 | -1.18 | 0.23 | -0.95 | -0.45 | -1.40 |
| 2vj8 | GLU271 | 1.52 | -54.26 | -52.74 | 45.75 | -6.98 |
| 2vj8 | GLU318 | -0.45 | -55.96 | -56.41 | 47.58 | -8.83 |
| 2vj8 | TYR378 | -0.28 | -0.48 | -0.76 | 0.39 | -0.37 |
| 2vj8 | TYR383 | -0.37 | -14.84 | -15.21 | 14.12 | -1.09 |
