Binding information for 2p4j_ligand_4_1337.mol2(FDBF01157)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p4j_ligand_4_1337.mol2 | 2p4j | 1 | -6.25 | C(CC)[C@@H](CC)O | 7 |
Structure and binding mode of 2p4j_ligand_4_1337.mol2(FDBF01157)
Important binding residues for 2p4j_ligand_4_1337.mol2(FDBF01157)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p4j | LEU30 | -0.20 | -0.53 | -0.73 | 0.42 | -0.31 |
| 2p4j | GLY34 | -0.79 | -0.02 | -0.81 | -0.23 | -1.04 |
| 2p4j | SER35 | -0.44 | -0.06 | -0.5 | 0.15 | -0.34 |
| 2p4j | ILE118 | -0.35 | -0.06 | -0.41 | -0.03 | -0.44 |
| 2p4j | ILE226 | -0.33 | 0.49 | 0.16 | -0.49 | -0.34 |
| 2p4j | GLY230 | -0.80 | -0.09 | -0.89 | -1.19 | -2.08 |
| 2p4j | THR231 | -0.75 | 0.63 | -0.12 | -0.33 | -0.46 |
| 2p4j | VAL332 | -0.21 | 0.06 | -0.15 | -0.21 | -0.35 |
