Binding information for 4b2l_ligand_1_0.mol2(FDBF00192)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b2l_ligand_1_0.mol2 | 4b2l | 0.818182 | -5.16 | [NH3+][C@H](C(=O)OC)C | 7 |
Structure and binding mode of 4b2l_ligand_1_0.mol2(FDBF00192)
Important binding residues for 4b2l_ligand_1_0.mol2(FDBF00192)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b2l | MET169 | -0.46 | 1.67 | 1.21 | -1.61 | -0.40 |
| 4b2l | ALA218 | -0.54 | -0.78 | -1.32 | 0.71 | -0.61 |
| 4b2l | GLU219 | -0.17 | -12.69 | -12.86 | 12.49 | -0.37 |
