Binding information for 2srt_ligand_3_64.mol2(FDBF00193)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2srt_ligand_3_64.mol2 | 2srt | 1 | -7.28 | c1(ccccc1)CCC | 9 |
Structure and binding mode of 2srt_ligand_3_64.mol2(FDBF00193)
Important binding residues for 2srt_ligand_3_64.mol2(FDBF00193)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2srt | LEU164 | -0.71 | 0.05 | -0.66 | 0.01 | -0.64 |
| 2srt | VAL198 | -0.99 | 0.04 | -0.95 | 0.04 | -0.91 |
| 2srt | TYR223 | -1.67 | -0.70 | -2.37 | 0.49 | -1.88 |
| 2srt | HIS224 | -0.71 | -0.20 | -0.91 | 0.56 | -0.35 |
