Binding information for 5dls_ligand_frag_2.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5dls_ligand_frag_2.mol2 | 5dls | 0.25 | -4.78 | [NH2+](C)C | 3 |
Structure and binding mode of 5dls_ligand_frag_2.mol2(FDBF00001)
Important binding residues for 5dls_ligand_frag_2.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5dls | GLU91 | -0.09 | -42.20 | -42.29 | 41.97 | -0.32 |
