Binding information for 1tmn_ligand_2_1.mol2(FDBF00030)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tmn_ligand_2_1.mol2 | 1tmn | 1 | -6.20 | C(C(C)C)C[NH3+] | 6 |
Structure and binding mode of 1tmn_ligand_2_1.mol2(FDBF00030)
Important binding residues for 1tmn_ligand_2_1.mol2(FDBF00030)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tmn | ASN112 | -0.61 | -6.49 | -7.1 | 4.57 | -2.52 |
| 1tmn | ALA113 | -0.11 | -6.63 | -6.74 | 5.03 | -1.72 |
| 1tmn | PHE114 | -0.22 | 0.44 | 0.22 | -0.66 | -0.44 |
| 1tmn | PHE130 | -0.30 | -12.40 | -12.7 | 12.36 | -0.34 |
| 1tmn | LEU133 | -0.45 | -17.33 | -17.78 | 17.34 | -0.43 |
| 1tmn | VAL139 | -1.03 | -0.77 | -1.8 | 0.87 | -0.93 |
| 1tmn | GLU143 | -0.46 | -47.88 | -48.34 | 44.73 | -3.62 |
| 1tmn | GLU166 | -0.11 | -41.73 | -41.84 | 39.94 | -1.90 |
