Binding information for 4u5s_ligand_5_11191.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u5s_ligand_5_11191.mol2 | 4u5s | 1 | -5.00 | O(CCNC(=O)C)C | 8 |
Structure and binding mode of 4u5s_ligand_5_11191.mol2(FDBF01215)
Important binding residues for 4u5s_ligand_5_11191.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u5s | TRP399 | -0.77 | 0.16 | -0.61 | 0.03 | -0.58 |
