Binding information for 4u5s_ligand_4_3579.mol2(FDBF06535)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u5s_ligand_4_3579.mol2 | 4u5s | 0.863636 | -4.87 | O(CCNC=O)C | 7 |
Structure and binding mode of 4u5s_ligand_4_3579.mol2(FDBF06535)
Important binding residues for 4u5s_ligand_4_3579.mol2(FDBF06535)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u5s | TRP399 | -0.77 | 0.16 | -0.61 | 0.02 | -0.58 |
