Binding information for 5c5t_ligand_1_0.mol2(FDBF00060)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5c5t_ligand_1_0.mol2 | 5c5t | 1 | -6.08 | CC(=O)C(=O)O | 6 |
Structure and binding mode of 5c5t_ligand_1_0.mol2(FDBF00060)
Important binding residues for 5c5t_ligand_1_0.mol2(FDBF00060)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5c5t | TYR135 | -1.33 | 1.38 | 0.05 | -1.70 | -1.65 |
| 5c5t | HIS138 | -0.79 | -5.02 | -5.81 | 4.85 | -0.96 |
| 5c5t | ASP140 | -0.57 | 62.13 | 61.56 | -67.03 | -5.47 |
| 5c5t | ILE219 | -0.52 | -0.37 | -0.89 | 0.35 | -0.53 |
| 5c5t | ASN221 | -0.62 | 15.11 | 14.49 | -16.42 | -1.94 |
| 5c5t | TRP223 | -0.45 | 11.90 | 11.45 | -11.81 | -0.35 |
