Binding information for 1pxm_ligand_frag_2.mol2(FDBF00790)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pxm_ligand_frag_2.mol2 | 1pxm | 1 | -5.94 | c1ncccn1 | 6 |
Structure and binding mode of 1pxm_ligand_frag_2.mol2(FDBF00790)
Important binding residues for 1pxm_ligand_frag_2.mol2(FDBF00790)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pxm | ILE10 | -0.73 | -0.13 | -0.86 | -0.01 | -0.87 |
| 1pxm | VAL18 | -0.24 | 0.02 | -0.22 | -0.12 | -0.33 |
| 1pxm | ALA31 | -0.81 | -0.17 | -0.98 | 0.12 | -0.87 |
| 1pxm | PHE80 | -0.54 | 0.23 | -0.31 | -0.22 | -0.53 |
| 1pxm | PHE82 | -1.12 | -1.00 | -2.12 | 0.36 | -1.76 |
| 1pxm | LEU83 | -0.98 | -1.29 | -2.27 | 0.65 | -1.61 |
| 1pxm | LEU134 | -0.97 | -0.06 | -1.03 | 0.00 | -1.02 |
