Binding information for 2ooh_ligand_frag_2.mol2(FDBF00749)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ooh_ligand_frag_2.mol2 | 2ooh | 0.461538 | -7.04 | C1CCCCC1 | 6 |
Structure and binding mode of 2ooh_ligand_frag_2.mol2(FDBF00749)
Important binding residues for 2ooh_ligand_frag_2.mol2(FDBF00749)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ooh | TYR36 | -0.14 | -0.01 | -0.15 | -0.16 | -0.31 |
| 2ooh | HIS62 | -0.88 | 0.00 | -0.88 | 0.44 | -0.44 |
| 2ooh | TYR95 | -1.33 | 0.01 | -1.32 | 0.34 | -0.98 |
