Binding information for 4dko_ligand_frag_1.mol2(FDBF07437)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dko_ligand_frag_1.mol2 | 4dko | 0.952381 | -6.24 | C1CC([NH+](C(C1)(C)C)C)(C)C | 11 |
Structure and binding mode of 4dko_ligand_frag_1.mol2(FDBF07437)
Important binding residues for 4dko_ligand_frag_1.mol2(FDBF07437)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dko | ILE371 | -0.29 | -13.19 | -13.48 | 13.03 | -0.44 |
