Binding information for 2p4j_ligand_2_49.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p4j_ligand_2_49.mol2 | 2p4j | 1 | -6.02 | CC(C)C(=O)N | 6 |
Structure and binding mode of 2p4j_ligand_2_49.mol2(FDBF00026)
Important binding residues for 2p4j_ligand_2_49.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p4j | GLY34 | -0.86 | -1.64 | -2.5 | 1.40 | -1.11 |
| 2p4j | SER35 | -0.53 | 0.31 | -0.22 | -0.18 | -0.40 |
| 2p4j | TYR71 | -1.01 | -2.37 | -3.38 | 1.25 | -2.13 |
| 2p4j | THR72 | -0.90 | -3.26 | -4.16 | 3.85 | -0.31 |
| 2p4j | THR231 | -0.37 | 0.18 | -0.19 | -0.20 | -0.39 |
