Binding information for 2q63_ligand_4_179.mol2(FDBF00413)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q63_ligand_4_179.mol2 | 2q63 | 1 | -5.75 | SCC[C@H](O)C | 6 |
Structure and binding mode of 2q63_ligand_4_179.mol2(FDBF00413)
Important binding residues for 2q63_ligand_4_179.mol2(FDBF00413)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q63 | THR26 | -0.09 | 0.00 | -0.09 | -0.28 | -0.37 |
| 2q63 | GLY27 | -0.73 | 0.47 | -0.26 | -1.83 | -2.09 |
| 2q63 | GLY49 | -0.22 | -0.43 | -0.65 | 0.18 | -0.48 |
| 2q63 | ILE50 | -0.70 | -0.04 | -0.74 | 0.09 | -0.65 |
| 2q63 | ILE84 | -0.20 | 0.12 | -0.08 | -0.24 | -0.32 |
| 2q63 | GLY27 | -0.33 | 0.34 | 0.01 | -0.82 | -0.81 |
| 2q63 | ALA28 | -0.58 | -0.07 | -0.65 | 0.12 | -0.53 |
| 2q63 | ILE84 | -0.69 | 0.00 | -0.69 | -0.24 | -0.93 |
