Binding information for 1h3b_ligand_5_210.mol2(FDBF01164)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h3b_ligand_5_210.mol2 | 1h3b | 1 | -6.08 | C(CC)C[NH+](C)C | 7 |
Structure and binding mode of 1h3b_ligand_5_210.mol2(FDBF01164)
Important binding residues for 1h3b_ligand_5_210.mol2(FDBF01164)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h3b | TRP312 | -1.35 | -21.65 | -23 | 21.94 | -1.06 |
| 1h3b | PHE365 | -1.72 | 0.03 | -1.69 | 0.03 | -1.66 |
| 1h3b | TRP489 | -1.12 | -2.62 | -3.74 | 3.01 | -0.74 |
