Binding information for 3b5r_ligand_frag_2.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b5r_ligand_frag_2.mol2 | 3b5r | 1 | -5.96 | CC(O)C | 4 |
Structure and binding mode of 3b5r_ligand_frag_2.mol2(FDBF00042)
Important binding residues for 3b5r_ligand_frag_2.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b5r | LEU704 | -0.42 | -0.17 | -0.59 | -0.90 | -1.49 |
| 3b5r | ASN705 | -0.09 | -3.04 | -3.13 | 2.76 | -0.37 |
| 3b5r | GLY708 | -0.15 | -0.32 | -0.47 | 0.09 | -0.37 |
