Binding information for 5dtj_ligand_1_0.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5dtj_ligand_1_0.mol2 | 5dtj | 1 | -6.87 | c1(c(cc(cc1)Cl)Cl)O | 9 |
Structure and binding mode of 5dtj_ligand_1_0.mol2(FDBF03634)
Important binding residues for 5dtj_ligand_1_0.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5dtj | TRP236 | -1.48 | -0.07 | -1.55 | 0.09 | -1.47 |
| 5dtj | PHE295 | -2.40 | 0.23 | -2.17 | 0.07 | -2.09 |
| 5dtj | ARG296 | -1.49 | -1.73 | -3.22 | 1.67 | -1.55 |
| 5dtj | PHE297 | -0.68 | 0.11 | -0.57 | 0.20 | -0.37 |
| 5dtj | PHE338 | -1.23 | -0.04 | -1.27 | 0.21 | -1.06 |
| 5dtj | ASN406 | -0.69 | -0.11 | -0.8 | 0.22 | -0.58 |
