Binding information for 2b07_ligand_frag_2.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b07_ligand_frag_2.mol2 | 2b07 | 1 | -5.89 | CC(=O)O | 4 |
Structure and binding mode of 2b07_ligand_frag_2.mol2(FDBF00004)
Important binding residues for 2b07_ligand_frag_2.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b07 | ASP181 | -0.67 | 18.09 | 17.42 | -19.44 | -2.02 |
| 2b07 | PHE182 | -1.03 | -6.33 | -7.36 | 4.55 | -2.81 |
| 2b07 | CYS215 | -0.36 | -5.80 | -6.16 | 4.97 | -1.18 |
| 2b07 | SER216 | -0.11 | -2.97 | -3.08 | 2.75 | -0.32 |
| 2b07 | ILE219 | -0.17 | -2.46 | -2.63 | 2.05 | -0.58 |
| 2b07 | GLY220 | -0.66 | -6.90 | -7.56 | 4.83 | -2.73 |
| 2b07 | ARG221 | -1.41 | -44.88 | -46.29 | 40.31 | -5.97 |
| 2b07 | GLN262 | -0.42 | -2.06 | -2.48 | 1.96 | -0.53 |
| 2b07 | GLN266 | -0.18 | 10.18 | 10 | -13.56 | -3.56 |
