Binding information for 2pj5_ligand_4_292.mol2(FDBF04053)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pj5_ligand_4_292.mol2 | 2pj5 | 0.96 | -5.87 | C(CCNC(=O)O)C | 8 |
Structure and binding mode of 2pj5_ligand_4_292.mol2(FDBF04053)
Important binding residues for 2pj5_ligand_4_292.mol2(FDBF04053)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2pj5 | ARG71 | -0.44 | -53.66 | -54.1 | 51.23 | -2.88 |
| 2pj5 | ARG127 | -0.84 | -24.44 | -25.28 | 22.57 | -2.71 |
| 2pj5 | HIS196 | -0.17 | 0.46 | 0.29 | -0.95 | -0.66 |
| 2pj5 | SER197 | -0.48 | 2.37 | 1.89 | -2.33 | -0.45 |
| 2pj5 | ILE247 | -0.50 | -0.25 | -0.75 | 0.17 | -0.58 |
| 2pj5 | PHE279 | -0.79 | 12.95 | 12.16 | -12.74 | -0.58 |
