Binding information for 4rz1_ligand_3_209.mol2(FDBF02824)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rz1_ligand_3_209.mol2 | 4rz1 | 1 | -5.88 | O(C)CCC | 5 |
Structure and binding mode of 4rz1_ligand_3_209.mol2(FDBF02824)
Important binding residues for 4rz1_ligand_3_209.mol2(FDBF02824)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rz1 | GLN13 | -1.29 | -1.35 | -2.64 | 0.32 | -2.32 |
| 4rz1 | TYR14 | -1.18 | -1.09 | -2.27 | 0.92 | -1.35 |
| 4rz1 | VAL30 | -0.71 | 0.03 | -0.68 | -0.15 | -0.83 |
| 4rz1 | PHE117 | -0.60 | -0.08 | -0.68 | 0.20 | -0.48 |
| 4rz1 | ALA218 | -0.66 | -0.41 | -1.07 | 0.67 | -0.40 |
