Binding information for 1tmn_ligand_2_6.mol2(FDBF00450)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tmn_ligand_2_6.mol2 | 1tmn | 1 | -5.92 | C(C(=O)O)[NH2+]CC | 7 |
Structure and binding mode of 1tmn_ligand_2_6.mol2(FDBF00450)
Important binding residues for 1tmn_ligand_2_6.mol2(FDBF00450)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tmn | ASN112 | -0.74 | -4.45 | -5.19 | 3.47 | -1.72 |
| 1tmn | ALA113 | -0.48 | -3.65 | -4.13 | 2.97 | -1.16 |
| 1tmn | PHE114 | -0.48 | -1.16 | -1.64 | 0.94 | -0.70 |
| 1tmn | GLU166 | -0.46 | 22.86 | 22.4 | -28.91 | -6.52 |
| 1tmn | ASP170 | -0.04 | 3.62 | 3.58 | -4.12 | -0.54 |
| 1tmn | HIS231 | 0.02 | -6.80 | -6.78 | 4.96 | -1.82 |
