Binding information for 1xom_ligand_frag_4.mol2(FDBF01245)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xom_ligand_frag_4.mol2 | 1xom | 1 | -6.42 | C1CCCC1 | 5 |
Structure and binding mode of 1xom_ligand_frag_4.mol2(FDBF01245)
Important binding residues for 1xom_ligand_frag_4.mol2(FDBF01245)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xom | ILE336 | -0.87 | -0.01 | -0.88 | -0.12 | -0.99 |
| 1xom | PHE340 | -0.87 | 0.03 | -0.84 | 0.41 | -0.44 |
| 1xom | MET357 | -1.21 | 0.05 | -1.16 | 0.41 | -0.75 |
| 1xom | PHE372 | -1.12 | -0.00 | -1.12 | 0.10 | -1.02 |
