Binding information for 4u5s_ligand_5_10869.mol2(FDBF06535)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u5s_ligand_5_10869.mol2 | 4u5s | 1 | -5.14 | O(C[C@H](C)NC=O)C | 8 |
Structure and binding mode of 4u5s_ligand_5_10869.mol2(FDBF06535)
Important binding residues for 4u5s_ligand_5_10869.mol2(FDBF06535)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u5s | THR322 | -0.53 | 0.23 | -0.3 | -0.10 | -0.40 |
| 4u5s | TRP399 | -0.78 | 0.17 | -0.61 | 0.02 | -0.59 |
