Binding information for 4ncn_ligand_frag_2.mol2(FDBF04868)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ncn_ligand_frag_2.mol2 | 4ncn | 0.333333 | -5.58 | P(O)O | 3 |
Structure and binding mode of 4ncn_ligand_frag_2.mol2(FDBF04868)
Important binding residues for 4ncn_ligand_frag_2.mol2(FDBF04868)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ncn | ASP533 | -0.74 | 1.30 | 0.56 | -1.26 | -0.71 |
| 4ncn | THR534 | -0.66 | -0.12 | -0.78 | 0.09 | -0.69 |
| 4ncn | GLU552 | -0.06 | 1.13 | 1.07 | -1.67 | -0.60 |
| 4ncn | THR557 | -0.20 | 0.43 | 0.23 | -1.49 | -1.26 |
| 4ncn | ASP594 | -0.09 | -0.43 | -0.52 | -0.06 | -0.58 |
