Binding information for 3g35_ligand_frag_3.mol2(FDBF00468)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g35_ligand_frag_3.mol2 | 3g35 | 0.5 | -5.62 | c1[nH]nnn1 | 5 |
Structure and binding mode of 3g35_ligand_frag_3.mol2(FDBF00468)
Important binding residues for 3g35_ligand_frag_3.mol2(FDBF00468)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g35 | SER70 | -0.65 | -2.79 | -3.44 | 2.90 | -0.55 |
| 3g35 | LYS73 | -0.13 | -11.68 | -11.81 | 11.02 | -0.80 |
| 3g35 | THR216 | -0.25 | -21.43 | -21.68 | 21.16 | -0.51 |
| 3g35 | LYS234 | -0.30 | -34.84 | -35.14 | 32.66 | -2.48 |
| 3g35 | GLY236 | -0.95 | -3.03 | -3.98 | 1.95 | -2.03 |
