Binding information for 4p4s_ligand_frag_2.mol2(FDBF04868)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4p4s_ligand_frag_2.mol2 | 4p4s | 0.333333 | -5.59 | P(O)O | 3 |
Structure and binding mode of 4p4s_ligand_frag_2.mol2(FDBF04868)
Important binding residues for 4p4s_ligand_frag_2.mol2(FDBF04868)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4p4s | ASP78 | -0.20 | -0.04 | -0.24 | -0.19 | -0.42 |
| 4p4s | SER81 | -0.54 | 0.13 | -0.41 | 0.08 | -0.33 |
| 4p4s | THR103 | -0.20 | 0.62 | 0.42 | -1.86 | -1.45 |
