Binding information for 2dbl_ligand_frag_1.mol2(FDBF00098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2dbl_ligand_frag_1.mol2 | 2dbl | 1 | -5.54 | C(=O)C | 3 |
Structure and binding mode of 2dbl_ligand_frag_1.mol2(FDBF00098)
Important binding residues for 2dbl_ligand_frag_1.mol2(FDBF00098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2dbl | ASN35 | -0.25 | -1.41 | -1.66 | 0.63 | -1.03 |
| 2dbl | ASP96 | -0.64 | -1.68 | -2.32 | 1.48 | -0.84 |
| 2dbl | TYR97 | -1.08 | -0.35 | -1.43 | 0.23 | -1.20 |
