Binding information for 3hha_ligand_1_5.mol2(FDBF04706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hha_ligand_1_5.mol2 | 3hha | 1 | -5.05 | CC=N | 3 |
Structure and binding mode of 3hha_ligand_1_5.mol2(FDBF04706)
Important binding residues for 3hha_ligand_1_5.mol2(FDBF04706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hha | GLN19 | 0.14 | -3.57 | -3.43 | 1.98 | -1.45 |
| 3hha | SER24 | -0.40 | -0.42 | -0.82 | -0.02 | -0.84 |
