Binding information for 4c16_ligand_3_0.mol2(FDBF00392)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c16_ligand_3_0.mol2 | 4c16 | 0.758621 | -5.49 | O[C@H](C(=O)O)CC1CCCCC1 | 12 |
Structure and binding mode of 4c16_ligand_3_0.mol2(FDBF00392)
Important binding residues for 4c16_ligand_3_0.mol2(FDBF00392)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4c16 | TYR48 | 1.83 | -11.44 | -9.61 | 8.30 | -1.31 |
| 4c16 | ARG97 | -2.35 | -40.87 | -43.22 | 37.80 | -5.42 |
