Binding information for 4rz1_ligand_4_276.mol2(FDBF01194)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rz1_ligand_4_276.mol2 | 4rz1 | 0.550562 | -6.56 | C(=O)(NC)c1cccc(c1)OC | 12 |
Structure and binding mode of 4rz1_ligand_4_276.mol2(FDBF01194)
Important binding residues for 4rz1_ligand_4_276.mol2(FDBF01194)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rz1 | GLN13 | -0.89 | 0.08 | -0.81 | 0.11 | -0.70 |
| 4rz1 | VAL30 | -0.30 | 0.13 | -0.17 | -0.20 | -0.36 |
| 4rz1 | TYR75 | -1.16 | -0.63 | -1.79 | 0.78 | -1.01 |
| 4rz1 | PRO111 | -0.57 | 0.03 | -0.54 | 0.16 | -0.39 |
| 4rz1 | PHE112 | -0.42 | -0.10 | -0.52 | 0.16 | -0.35 |
| 4rz1 | PHE117 | -1.24 | -0.32 | -1.56 | 0.41 | -1.15 |
