Binding information for 4gbd_ligand_1_2.mol2(FDBF00052)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gbd_ligand_1_2.mol2 | 4gbd | 1 | -5.52 | S(C)C | 3 |
Structure and binding mode of 4gbd_ligand_1_2.mol2(FDBF00052)
Important binding residues for 4gbd_ligand_1_2.mol2(FDBF00052)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gbd | TYR133 | -0.68 | -0.09 | -0.77 | 0.05 | -0.73 |
| 4gbd | GLY192 | -0.29 | -0.31 | -0.6 | 0.25 | -0.35 |
