Binding information for 4cps_ligand_1_5.mol2(FDBF03310)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cps_ligand_1_5.mol2 | 4cps | 0.285714 | -5.14 | [NH2]=NC=O | 4 |
Structure and binding mode of 4cps_ligand_1_5.mol2(FDBF03310)
Important binding residues for 4cps_ligand_1_5.mol2(FDBF03310)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cps | ASP25 | -0.21 | -35.37 | -35.58 | 34.68 | -0.90 |
| 4cps | ILE50 | -0.29 | -0.06 | -0.35 | 0.02 | -0.33 |
| 4cps | ASP129 | -0.07 | -19.35 | -19.42 | 19.10 | -0.32 |
