Binding information for 2zxg_ligand_frag_1.mol2(FDBF00040)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zxg_ligand_frag_1.mol2 | 2zxg | 1 | -5.85 | C([NH3+])C | 3 |
Structure and binding mode of 2zxg_ligand_frag_1.mol2(FDBF00040)
Important binding residues for 2zxg_ligand_frag_1.mol2(FDBF00040)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zxg | GLU121 | 1.28 | -33.58 | -32.3 | 22.12 | -10.18 |
| 2zxg | MET260 | -0.44 | -0.75 | -1.19 | 0.34 | -0.85 |
| 2zxg | ALA262 | -0.31 | -3.08 | -3.39 | 3.06 | -0.33 |
| 2zxg | MET263 | -0.81 | -0.20 | -1.01 | -0.27 | -1.29 |
| 2zxg | GLU264 | 2.79 | -56.87 | -54.08 | 42.58 | -11.50 |
| 2zxg | GLU298 | -0.16 | -31.09 | -31.25 | 30.57 | -0.69 |
| 2zxg | LEU316 | -0.07 | -17.72 | -17.79 | 17.46 | -0.34 |
| 2zxg | GLU320 | -0.44 | -59.06 | -59.5 | 49.76 | -9.75 |
