Binding information for 3hd3_ligand_frag_0.mol2(FDBF00283)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hd3_ligand_frag_0.mol2 | 3hd3 | 1 | -5.15 | O=SO | 3 |
Structure and binding mode of 3hd3_ligand_frag_0.mol2(FDBF00283)
Important binding residues for 3hd3_ligand_frag_0.mol2(FDBF00283)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hd3 | GLN19 | -0.32 | -4.93 | -5.25 | 3.00 | -2.25 |
| 3hd3 | GLY23 | -0.27 | -0.28 | -0.55 | 0.19 | -0.36 |
| 3hd3 | CYS25 | -0.63 | -0.87 | -1.5 | 0.70 | -0.80 |
| 3hd3 | TRP184 | -0.60 | -0.57 | -1.17 | -0.22 | -1.40 |
