Binding information for 2fdp_ligand_2_13.mol2(FDBF00241)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fdp_ligand_2_13.mol2 | 2fdp | 1 | -6.03 | CC(C)[NH3+] | 4 |
Structure and binding mode of 2fdp_ligand_2_13.mol2(FDBF00241)
Important binding residues for 2fdp_ligand_2_13.mol2(FDBF00241)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fdp | ASP32 | 0.10 | -51.08 | -50.98 | 42.81 | -8.17 |
| 2fdp | SER35 | -0.23 | 1.57 | 1.34 | -1.79 | -0.45 |
| 2fdp | ASP228 | 1.46 | -57.12 | -55.66 | 46.67 | -8.98 |
| 2fdp | THR231 | -0.73 | -1.95 | -2.68 | 0.83 | -1.85 |
