Binding information for 4hj2_ligand_4_2170.mol2(FDBF01313)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_4_2170.mol2 | 4hj2 | 1 | -5.21 | CSCC[NH3+] | 5 |
Structure and binding mode of 4hj2_ligand_4_2170.mol2(FDBF01313)
Important binding residues for 4hj2_ligand_4_2170.mol2(FDBF01313)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.44 | -16.31 | -16.75 | 16.16 | -0.60 |
| 4hj2 | PHE220 | -1.58 | -21.78 | -23.36 | 21.00 | -2.36 |
