Binding information for 3gx0_ligand_5_5422.mol2(FDBF00135)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gx0_ligand_5_5422.mol2 | 3gx0 | 0.555556 | -5.58 | CCSSCC | 6 |
Structure and binding mode of 3gx0_ligand_5_5422.mol2(FDBF00135)
Important binding residues for 3gx0_ligand_5_5422.mol2(FDBF00135)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gx0 | PRO10 | -0.61 | -0.19 | -0.8 | 0.28 | -0.52 |
| 3gx0 | LEU33 | -0.49 | -0.04 | -0.53 | 0.02 | -0.51 |
| 3gx0 | ILE52 | -1.04 | 0.03 | -1.01 | 0.51 | -0.50 |
