Binding information for 1css_ligand_1_16.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1css_ligand_1_16.mol2 | 1css | 1 | -5.53 | C(=O)NC | 4 |
Structure and binding mode of 1css_ligand_1_16.mol2(FDBF00024)
Important binding residues for 1css_ligand_1_16.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1css | ALA277 | -0.67 | 0.23 | -0.44 | -0.55 | -0.98 |
| 1css | PRO316 | -0.37 | -1.01 | -1.38 | 0.32 | -1.06 |
| 1css | GLY317 | -0.10 | -2.92 | -3.02 | 1.43 | -1.59 |
| 1css | ASN373 | -0.71 | -2.38 | -3.09 | 0.77 | -2.32 |
