Binding information for 1gt3_ligand_2_0.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gt3_ligand_2_0.mol2 | 1gt3 | 1 | -6.53 | CC(C)CC | 5 |
Structure and binding mode of 1gt3_ligand_2_0.mol2(FDBF00198)
Important binding residues for 1gt3_ligand_2_0.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gt3 | ILE22 | -0.57 | -0.00 | -0.57 | -0.19 | -0.76 |
| 1gt3 | PHE36 | -0.62 | -0.03 | -0.65 | 0.32 | -0.32 |
| 1gt3 | PHE89 | -0.58 | 0.00 | -0.58 | 0.17 | -0.40 |
| 1gt3 | ALA101 | -0.36 | -0.00 | -0.36 | 0.02 | -0.35 |
| 1gt3 | ASN103 | -1.04 | 0.00 | -1.04 | 0.24 | -0.80 |
| 1gt3 | LEU115 | -1.20 | -0.02 | -1.22 | -0.13 | -1.35 |
| 1gt3 | THR116 | -0.44 | 0.01 | -0.43 | -0.07 | -0.50 |
