Binding information for 3gc4_ligand_3_6.mol2(FDBF01799)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gc4_ligand_3_6.mol2 | 3gc4 | 1 | -6.52 | C([NH2+]CC)c1ccccc1 | 10 |
Structure and binding mode of 3gc4_ligand_3_6.mol2(FDBF01799)
Important binding residues for 3gc4_ligand_3_6.mol2(FDBF01799)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gc4 | ASN70 | -1.27 | -0.67 | -1.94 | 1.63 | -0.31 |
| 3gc4 | TYR106 | -1.83 | -23.00 | -24.83 | 23.96 | -0.87 |
| 3gc4 | GLY261 | -0.57 | 2.13 | 1.56 | -2.14 | -0.58 |
| 3gc4 | ASP280 | 1.22 | -50.53 | -49.31 | 45.28 | -4.04 |
| 3gc4 | VAL282 | -0.52 | 0.88 | 0.36 | -0.94 | -0.58 |
