Binding information for 2zu5_ligand_4_1254.mol2(FDBF05640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zu5_ligand_4_1254.mol2 | 2zu5 | 0.708333 | -5.40 | C=CCNC(=O)C | 7 |
Structure and binding mode of 2zu5_ligand_4_1254.mol2(FDBF05640)
Important binding residues for 2zu5_ligand_4_1254.mol2(FDBF05640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zu5 | HIS164 | -0.64 | -2.52 | -3.16 | 1.96 | -1.19 |
| 2zu5 | MET165 | -0.92 | 0.24 | -0.68 | 0.09 | -0.60 |
