Binding information for 4msl_ligand_2_3.mol2(FDBF01685)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4msl_ligand_2_3.mol2 | 4msl | 1 | -6.01 | [NH2+](C)[C@H](C(=O)O)C | 7 |
Structure and binding mode of 4msl_ligand_2_3.mol2(FDBF01685)
Important binding residues for 4msl_ligand_2_3.mol2(FDBF01685)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4msl | TYR271 | -0.76 | -4.18 | -4.94 | 4.43 | -0.51 |
| 4msl | SER272 | -0.91 | -0.52 | -1.43 | 0.92 | -0.52 |
| 4msl | SER283 | -0.56 | -5.64 | -6.2 | 5.33 | -0.87 |
| 4msl | ARG292 | 0.04 | -27.03 | -26.99 | 19.91 | -7.08 |
| 4msl | ILE294 | -0.31 | 0.17 | -0.14 | -0.20 | -0.35 |
| 4msl | PHE317 | -0.94 | -1.66 | -2.6 | 0.64 | -1.96 |
| 4msl | TYR318 | 0.04 | -8.29 | -8.25 | 4.62 | -3.62 |
