Binding information for 2ptz_ligand_1_1.mol2(FDBF01681)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ptz_ligand_1_1.mol2 | 2ptz | 0.571429 | -6.28 | CP(=O)(O)O | 5 |
Structure and binding mode of 2ptz_ligand_1_1.mol2(FDBF01681)
Important binding residues for 2ptz_ligand_1_1.mol2(FDBF01681)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ptz | ARG15 | -0.14 | 0.02 | -0.12 | -0.61 | -0.73 |
| 2ptz | GLY38 | -0.75 | -0.60 | -1.35 | -0.11 | -1.46 |
| 2ptz | ALA39 | 0.42 | -1.88 | -1.46 | 0.55 | -0.91 |
| 2ptz | SER40 | -0.27 | 1.51 | 1.24 | -5.01 | -3.77 |
| 2ptz | ASP243 | -0.13 | -0.95 | -1.08 | 0.44 | -0.64 |
| 2ptz | GLU291 | -0.04 | -0.29 | -0.33 | -0.32 | -0.66 |
| 2ptz | ASP318 | -0.16 | 0.86 | 0.7 | -2.06 | -1.36 |
| 2ptz | ASP319 | -0.08 | 1.08 | 1 | -1.44 | -0.44 |
| 2ptz | ARG372 | -0.55 | -10.86 | -11.41 | 4.16 | -7.25 |
