Binding information for 4zzx_ligand_frag_1.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zzx_ligand_frag_1.mol2 | 4zzx | 1 | -5.44 | C(=O)N | 3 |
Structure and binding mode of 4zzx_ligand_frag_1.mol2(FDBF00003)
Important binding residues for 4zzx_ligand_frag_1.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zzx | HIS428 | -1.06 | -1.01 | -2.07 | 0.45 | -1.62 |
| 4zzx | GLY429 | -0.25 | -4.09 | -4.34 | 2.33 | -2.01 |
| 4zzx | PHE463 | -0.21 | -0.77 | -0.98 | 0.66 | -0.31 |
| 4zzx | SER470 | -0.31 | -4.59 | -4.9 | 4.02 | -0.88 |
| 4zzx | TYR473 | -0.93 | -0.77 | -1.7 | 0.71 | -1.00 |
