Binding information for 2h3e_ligand_1_0.mol2(FDBF01681)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h3e_ligand_1_0.mol2 | 2h3e | 0.571429 | -6.29 | OP(=O)(O)C | 5 |
Structure and binding mode of 2h3e_ligand_1_0.mol2(FDBF01681)
Important binding residues for 2h3e_ligand_1_0.mol2(FDBF01681)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2h3e | SER52 | -0.21 | -3.03 | -3.24 | -0.37 | -3.60 |
| 2h3e | ARG105 | -0.80 | -3.93 | -4.73 | 4.16 | -0.57 |
| 2h3e | PRO268 | -0.60 | -0.14 | -0.74 | -0.12 | -0.86 |
