Binding information for 966c_ligand_frag_3.mol2(FDBF00283)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 966c_ligand_frag_3.mol2 | 966c | 1 | -5.12 | S(=O)O | 3 |
Structure and binding mode of 966c_ligand_frag_3.mol2(FDBF00283)
Important binding residues for 966c_ligand_frag_3.mol2(FDBF00283)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 966c | ASN180 | -0.78 | -0.31 | -1.09 | 0.02 | -1.07 |
| 966c | LEU181 | -0.30 | -0.19 | -0.49 | -0.06 | -0.56 |
