Binding information for 4ow0_ligand_frag_3.mol2(FDBF00670)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ow0_ligand_frag_3.mol2 | 4ow0 | 1 | -6.27 | C1CC[NH2+]CC1 | 6 |
Structure and binding mode of 4ow0_ligand_frag_3.mol2(FDBF00670)
Important binding residues for 4ow0_ligand_frag_3.mol2(FDBF00670)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ow0 | LEU163 | -0.72 | 1.14 | 0.42 | -0.97 | -0.55 |
| 4ow0 | ASP165 | 0.75 | -44.64 | -43.89 | 41.29 | -2.61 |
| 4ow0 | TYR265 | -1.46 | -1.76 | -3.22 | 1.78 | -1.44 |
| 4ow0 | TYR269 | -1.92 | -3.24 | -5.16 | 4.50 | -0.66 |
| 4ow0 | TYR274 | -0.65 | -17.56 | -18.21 | 16.66 | -1.56 |
