Binding information for 2v12_ligand_4_2059.mol2(FDBF07618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v12_ligand_4_2059.mol2 | 2v12 | 0.745455 | -6.86 | CCNC(=O)c1c(cccc1)O | 12 |
Structure and binding mode of 2v12_ligand_4_2059.mol2(FDBF07618)
Important binding residues for 2v12_ligand_4_2059.mol2(FDBF07618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v12 | GLN19 | -0.90 | 0.03 | -0.87 | 0.32 | -0.55 |
| 2v12 | VAL36 | -0.28 | 0.07 | -0.21 | -0.15 | -0.35 |
| 2v12 | TYR83 | -0.41 | 0.01 | -0.4 | 0.06 | -0.34 |
| 2v12 | PRO118 | -0.78 | -0.83 | -1.61 | 0.96 | -0.65 |
| 2v12 | PHE119 | -0.63 | -0.07 | -0.7 | 0.21 | -0.50 |
| 2v12 | LEU121 | -0.50 | -0.14 | -0.64 | 0.28 | -0.35 |
| 2v12 | ALA122 | -0.56 | 0.08 | -0.48 | -0.10 | -0.58 |
| 2v12 | PHE124 | -0.89 | -0.28 | -1.17 | 0.48 | -0.69 |
