Binding information for 1css_ligand_3_965.mol2(FDBF00228)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1css_ligand_3_965.mol2 | 1css | 1 | -6.17 | CC(=O)NCC | 6 |
Structure and binding mode of 1css_ligand_3_965.mol2(FDBF00228)
Important binding residues for 1css_ligand_3_965.mol2(FDBF00228)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1css | LEU273 | -1.29 | -0.75 | -2.04 | 1.64 | -0.40 |
| 1css | ALA277 | -0.81 | 0.25 | -0.56 | -0.53 | -1.09 |
| 1css | PRO316 | -0.58 | -1.03 | -1.61 | 0.44 | -1.17 |
| 1css | GLY317 | -0.23 | -3.02 | -3.25 | 1.57 | -1.69 |
| 1css | ASN373 | -0.83 | -2.53 | -3.36 | 1.06 | -2.30 |
