Binding information for 3cid_ligand_3_14.mol2(FDBF05741)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cid_ligand_3_14.mol2 | 3cid | 0.97561 | -6.77 | N(C(=O)c1cccc(c1)C)CC | 12 |
Structure and binding mode of 3cid_ligand_3_14.mol2(FDBF05741)
Important binding residues for 3cid_ligand_3_14.mol2(FDBF05741)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cid | TYR132 | -1.35 | -1.47 | -2.82 | 1.10 | -1.72 |
| 3cid | THR133 | -0.99 | -2.06 | -3.05 | 1.87 | -1.18 |
| 3cid | GLN134 | -1.27 | -2.80 | -4.07 | 1.89 | -2.17 |
| 3cid | GLY291 | -0.87 | -2.26 | -3.13 | 2.25 | -0.89 |
| 3cid | THR292 | -1.75 | 0.04 | -1.71 | 0.55 | -1.15 |
| 3cid | ARG296 | -0.86 | -0.08 | -0.94 | 0.55 | -0.39 |
