Binding information for 2fdd_ligand_frag_13.mol2(FDBF01309)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fdd_ligand_frag_13.mol2 | 2fdd | 1 | -5.06 | c1nc(sc1)C | 6 |
Structure and binding mode of 2fdd_ligand_frag_13.mol2(FDBF01309)
Important binding residues for 2fdd_ligand_frag_13.mol2(FDBF01309)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fdd | GLY49 | -0.31 | -0.27 | -0.58 | 0.16 | -0.42 |
| 2fdd | PRO81 | -1.07 | 0.53 | -0.54 | -0.40 | -0.94 |
