Binding information for 2p2a_ligand_frag_2.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p2a_ligand_frag_2.mol2 | 2p2a | 1 | -6.84 | c1ccccc1 | 6 |
Structure and binding mode of 2p2a_ligand_frag_2.mol2(FDBF00005)
Important binding residues for 2p2a_ligand_frag_2.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p2a | PRO12 | -0.52 | -0.04 | -0.56 | 0.19 | -0.38 |
| 2p2a | PRO86 | -0.49 | -0.14 | -0.63 | 0.11 | -0.52 |
| 2p2a | MET193 | -1.29 | -0.50 | -1.79 | 0.10 | -1.69 |
| 2p2a | TYR196 | -0.52 | -0.08 | -0.6 | 0.23 | -0.37 |
