Binding information for 4pjt_ligand_frag_2.mol2(FDBF00261)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4pjt_ligand_frag_2.mol2 | 4pjt | 1 | -5.18 | c1[nH]cn[n+]1C | 6 |
Structure and binding mode of 4pjt_ligand_frag_2.mol2(FDBF00261)
Important binding residues for 4pjt_ligand_frag_2.mol2(FDBF00261)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4pjt | TYR889 | -0.62 | -0.21 | -0.83 | 0.41 | -0.41 |
| 4pjt | TYR896 | -0.51 | -0.16 | -0.67 | 0.24 | -0.43 |
| 4pjt | TYR907 | -0.72 | 0.13 | -0.59 | -0.07 | -0.66 |
