Binding information for 1css_ligand_2_165.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1css_ligand_2_165.mol2 | 1css | 1 | -5.91 | CC(=O)NC | 5 |
Structure and binding mode of 1css_ligand_2_165.mol2(FDBF00027)
Important binding residues for 1css_ligand_2_165.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1css | LEU273 | -1.15 | -0.80 | -1.95 | 1.56 | -0.39 |
| 1css | ALA277 | -0.77 | 0.21 | -0.56 | -0.50 | -1.05 |
| 1css | PRO316 | -0.57 | -1.04 | -1.61 | 0.45 | -1.15 |
| 1css | GLY317 | -0.20 | -3.03 | -3.23 | 1.58 | -1.65 |
| 1css | ASN373 | -0.75 | -2.53 | -3.28 | 0.92 | -2.37 |
