Binding information for 5d1r_ligand_frag_10.mol2(FDBF00628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_frag_10.mol2 | 5d1r | 1 | -5.47 | C(=O)OC(C)C | 6 |
Structure and binding mode of 5d1r_ligand_frag_10.mol2(FDBF00628)
Important binding residues for 5d1r_ligand_frag_10.mol2(FDBF00628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | PRO128 | -0.65 | 0.22 | -0.43 | -0.21 | -0.64 |
| 5d1r | ALA132 | -1.12 | -0.19 | -1.31 | 0.17 | -1.14 |
| 5d1r | ALA135 | -0.42 | -0.18 | -0.6 | 0.22 | -0.38 |
