Binding information for 4lnb_ligand_5_456.mol2(FDBF00649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lnb_ligand_5_456.mol2 | 4lnb | 0.707317 | -5.71 | c1(ccc(cc1)C[NH3+])N(C)CC | 12 |
Structure and binding mode of 4lnb_ligand_5_456.mol2(FDBF00649)
Important binding residues for 4lnb_ligand_5_456.mol2(FDBF00649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lnb | TYR109 | -1.57 | -2.74 | -4.31 | 2.09 | -2.22 |
| 4lnb | GLU270 | -0.09 | -41.23 | -41.32 | 40.76 | -0.56 |
| 4lnb | ASP272 | -0.10 | -44.53 | -44.63 | 43.73 | -0.90 |
| 4lnb | ASP387 | -0.03 | -3.66 | -3.69 | 3.27 | -0.42 |
| 4lnb | TYR454 | -1.41 | -0.15 | -1.56 | 0.36 | -1.20 |
