Binding information for 4mx0_ligand_2_5.mol2(FDBF01761)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mx0_ligand_2_5.mol2 | 4mx0 | 0.869565 | -6.34 | C1[C@@H]([C@@H]([C@H](C1)C(=O)O)O)CC | 11 |
Structure and binding mode of 4mx0_ligand_2_5.mol2(FDBF01761)
Important binding residues for 4mx0_ligand_2_5.mol2(FDBF01761)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mx0 | ARG119 | 0.00 | -59.28 | -59.28 | 51.41 | -7.86 |
| 4mx0 | ARG157 | -0.08 | -6.04 | -6.12 | 5.72 | -0.40 |
| 4mx0 | ARG226 | -0.36 | -15.53 | -15.89 | 15.22 | -0.68 |
| 4mx0 | ARG372 | 1.47 | -40.66 | -39.19 | 29.03 | -10.16 |
