Binding information for 2x91_ligand_2_2.mol2(FDBF01685)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2x91_ligand_2_2.mol2 | 2x91 | 1 | -5.96 | C[NH2+][C@H](C(=O)O)C | 7 |
Structure and binding mode of 2x91_ligand_2_2.mol2(FDBF01685)
Important binding residues for 2x91_ligand_2_2.mol2(FDBF01685)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2x91 | ALA338 | -0.36 | -5.55 | -5.91 | 3.88 | -2.02 |
| 2x91 | SER339 | -0.61 | -0.69 | -1.3 | 0.67 | -0.63 |
| 2x91 | GLU395 | -0.55 | 22.23 | 21.68 | -26.03 | -4.36 |
