Binding information for 1lhd_ligand_4_138.mol2(FDBF00035)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lhd_ligand_4_138.mol2 | 1lhd | 1 | -6.73 | CC(=O)N1[C@H](C(=O)NCC)CCC1 | 13 |
Structure and binding mode of 1lhd_ligand_4_138.mol2(FDBF00035)
Important binding residues for 1lhd_ligand_4_138.mol2(FDBF00035)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lhd | TYR60A | -1.10 | -0.26 | -1.36 | 0.66 | -0.70 |
| 1lhd | TRP60D | -1.27 | -0.46 | -1.73 | 0.78 | -0.95 |
| 1lhd | CYS191 | -0.42 | -0.30 | -0.72 | 0.36 | -0.36 |
| 1lhd | SER214 | -0.90 | -3.32 | -4.22 | 3.20 | -1.03 |
| 1lhd | TRP215 | -1.50 | -2.14 | -3.64 | 1.45 | -2.18 |
| 1lhd | GLY216 | -0.85 | 0.11 | -0.74 | -0.15 | -0.89 |
