Binding information for 1s3k_ligand_1_7.mol2(FDBF00454)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1s3k_ligand_1_7.mol2 | 1s3k | 0.735294 | -5.34 | [C@H]1(CCC[C@H](O1)CO)O | 9 |
Structure and binding mode of 1s3k_ligand_1_7.mol2(FDBF00454)
Important binding residues for 1s3k_ligand_1_7.mol2(FDBF00454)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1s3k | TYR33 | -1.73 | -0.38 | -2.11 | 1.17 | -0.94 |
