Binding information for 1db5_ligand_frag_4.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1db5_ligand_frag_4.mol2 | 1db5 | 1 | -5.51 | C(=O)N | 3 |
Structure and binding mode of 1db5_ligand_frag_4.mol2(FDBF00003)
Important binding residues for 1db5_ligand_frag_4.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1db5 | CYS28 | -0.47 | -1.07 | -1.54 | 0.63 | -0.91 |
| 1db5 | GLY31 | -0.07 | 0.94 | 0.87 | -1.31 | -0.44 |
| 1db5 | CYS44 | -1.02 | -1.15 | -2.17 | 1.05 | -1.12 |
| 1db5 | HIS47 | -0.12 | -2.58 | -2.7 | 2.27 | -0.43 |
| 1db5 | ASP48 | -0.30 | 0.69 | 0.39 | -1.10 | -0.71 |
