Binding information for 4lh3_ligand_frag_2.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lh3_ligand_frag_2.mol2 | 4lh3 | 1 | -5.90 | CC(=O)O | 4 |
Structure and binding mode of 4lh3_ligand_frag_2.mol2(FDBF00004)
Important binding residues for 4lh3_ligand_frag_2.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lh3 | LYS347 | -0.36 | -30.52 | -30.88 | 29.68 | -1.21 |
| 4lh3 | LYS509 | -0.03 | -40.16 | -40.19 | 39.76 | -0.44 |
| 4lh3 | THR511 | -0.70 | -7.82 | -8.52 | 4.94 | -3.58 |
| 4lh3 | GLY512 | -0.31 | -9.25 | -9.56 | 6.25 | -3.31 |
| 4lh3 | SER513 | 0.67 | -12.70 | -12.03 | 8.45 | -3.58 |
| 4lh3 | PHE520 | -1.21 | -0.34 | -1.55 | 1.05 | -0.49 |
