Binding information for 2srt_ligand_2_0.mol2(FDBF01687)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2srt_ligand_2_0.mol2 | 2srt | 1 | -6.06 | CC[NH2+][C@H](C)C(=O)O | 8 |
Structure and binding mode of 2srt_ligand_2_0.mol2(FDBF01687)
Important binding residues for 2srt_ligand_2_0.mol2(FDBF01687)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2srt | ALA165 | 1.52 | -5.53 | -4.01 | 2.84 | -1.17 |
| 2srt | HIS166 | -0.79 | -0.68 | -1.47 | 0.84 | -0.63 |
| 2srt | GLU202 | -0.15 | -4.87 | -5.02 | 4.71 | -0.31 |
| 2srt | HIS205 | -0.39 | -0.82 | -1.21 | 0.77 | -0.44 |
