Binding information for 1h37_ligand_4_201.mol2(FDBF07405)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h37_ligand_4_201.mol2 | 1h37 | 0.875 | -6.10 | C[NH2+]C[C@@H]1[C@H](C1)C | 7 |
Structure and binding mode of 1h37_ligand_4_201.mol2(FDBF07405)
Important binding residues for 1h37_ligand_4_201.mol2(FDBF07405)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h37 | TRP312 | -0.34 | -18.62 | -18.96 | 18.65 | -0.31 |
| 1h37 | PHE365 | -1.12 | -0.23 | -1.35 | 0.17 | -1.17 |
| 1h37 | TRP489 | -1.73 | -2.79 | -4.52 | 3.03 | -1.49 |
| 1h37 | LEU607 | -0.37 | -14.52 | -14.89 | 14.41 | -0.47 |
