Binding information for 4cpx_ligand_1_5.mol2(FDBF03310)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cpx_ligand_1_5.mol2 | 4cpx | 0.285714 | -5.12 | N(=[NH2])C=O | 4 |
Structure and binding mode of 4cpx_ligand_1_5.mol2(FDBF03310)
Important binding residues for 4cpx_ligand_1_5.mol2(FDBF03310)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cpx | ASP25 | -0.19 | -34.79 | -34.98 | 34.08 | -0.90 |
| 4cpx | ILE50 | -0.30 | 0.04 | -0.26 | -0.09 | -0.35 |
| 4cpx | ASP129 | -0.07 | -19.09 | -19.16 | 18.83 | -0.33 |
