Binding information for 2ajd_ligand_frag_1.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ajd_ligand_frag_1.mol2 | 2ajd | 1 | -6.25 | C(=O)N1CCCC1 | 7 |
Structure and binding mode of 2ajd_ligand_frag_1.mol2(FDBF00002)
Important binding residues for 2ajd_ligand_frag_1.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ajd | ARG125 | -0.32 | -7.97 | -8.29 | 6.72 | -1.57 |
| 2ajd | TYR631 | -0.90 | 0.18 | -0.72 | 0.05 | -0.66 |
| 2ajd | VAL656 | -0.52 | 0.10 | -0.42 | -0.13 | -0.55 |
| 2ajd | TYR666 | -1.37 | -0.49 | -1.86 | 0.78 | -1.07 |
| 2ajd | ASN710 | -0.39 | -5.23 | -5.62 | 2.91 | -2.71 |
