Binding information for 2woq_ligand_frag_4.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2woq_ligand_frag_4.mol2 | 2woq | 1 | -6.05 | CC(=O)O | 4 |
Structure and binding mode of 2woq_ligand_frag_4.mol2(FDBF00004)
Important binding residues for 2woq_ligand_frag_4.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2woq | TYR211 | -0.91 | 0.01 | -0.9 | -0.83 | -1.73 |
| 2woq | PHE214 | -0.99 | -2.66 | -3.65 | 2.36 | -1.29 |
| 2woq | TYR283 | -1.11 | -19.85 | -20.96 | 20.03 | -0.93 |
| 2woq | GLN284 | -0.08 | 1.07 | 0.99 | -1.34 | -0.35 |
| 2woq | VAL285 | -0.92 | -7.00 | -7.92 | 2.36 | -5.56 |
| 2woq | SER286 | 0.40 | -17.51 | -17.11 | 12.09 | -5.03 |
