Binding information for 1gt3_ligand_1_3.mol2(FDBF00154)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gt3_ligand_1_3.mol2 | 1gt3 | 1 | -6.56 | C(C(O)(C)C)C | 6 |
Structure and binding mode of 1gt3_ligand_1_3.mol2(FDBF00154)
Important binding residues for 1gt3_ligand_1_3.mol2(FDBF00154)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gt3 | PHE54 | -1.13 | -0.11 | -1.24 | 0.36 | -0.88 |
| 1gt3 | ALA81 | -0.43 | 0.13 | -0.3 | -0.08 | -0.39 |
| 1gt3 | TYR83 | -1.05 | -0.03 | -1.08 | 0.33 | -0.74 |
| 1gt3 | ASN87 | -0.80 | -1.21 | -2.01 | 0.95 | -1.06 |
| 1gt3 | PHE89 | -0.83 | -0.10 | -0.93 | 0.30 | -0.63 |
| 1gt3 | ASN103 | -0.80 | -0.42 | -1.22 | 0.45 | -0.76 |
