Binding information for 2oah_ligand_2_39.mol2(FDBF00208)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oah_ligand_2_39.mol2 | 2oah | 1 | -6.01 | CC(C)[NH3+] | 4 |
Structure and binding mode of 2oah_ligand_2_39.mol2(FDBF00208)
Important binding residues for 2oah_ligand_2_39.mol2(FDBF00208)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2oah | ASP32 | 1.39 | -54.80 | -53.41 | 45.06 | -8.35 |
| 2oah | SER35 | -0.34 | 1.39 | 1.05 | -1.60 | -0.55 |
| 2oah | ASP228 | 0.36 | -55.15 | -54.79 | 45.25 | -9.54 |
| 2oah | THR231 | -0.72 | -0.31 | -1.03 | -0.00 | -1.03 |
