Binding information for 2igx_ligand_3_100.mol2(FDBF00081)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2igx_ligand_3_100.mol2 | 2igx | 1 | -6.63 | CCCCC | 5 |
Structure and binding mode of 2igx_ligand_3_100.mol2(FDBF00081)
Important binding residues for 2igx_ligand_3_100.mol2(FDBF00081)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2igx | TRP41 | -1.88 | -0.02 | -1.9 | 0.48 | -1.42 |
| 2igx | VAL42 | -0.29 | 0.01 | -0.28 | -0.11 | -0.39 |
| 2igx | PRO43 | -0.60 | 0.01 | -0.59 | 0.02 | -0.58 |
| 2igx | VAL105 | -0.73 | -0.00 | -0.73 | -0.12 | -0.85 |
| 2igx | ILE123 | -0.98 | 0.00 | -0.98 | -0.06 | -1.03 |
