Binding information for 5cs2_ligand_1_1.mol2(FDBF02169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cs2_ligand_1_1.mol2 | 5cs2 | 0.971429 | -5.53 | [C@@H]1(C[NH2+][C@H]2[C@H]1CCCC2)CO | 11 |
Structure and binding mode of 5cs2_ligand_1_1.mol2(FDBF02169)
Important binding residues for 5cs2_ligand_1_1.mol2(FDBF02169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5cs2 | GLN102 | -0.19 | -2.36 | -2.55 | 0.82 | -1.73 |
| 5cs2 | ALA107 | -1.04 | -0.26 | -1.3 | 0.90 | -0.40 |
| 5cs2 | GLY108 | -1.49 | -0.92 | -2.41 | 0.68 | -1.74 |
