Binding information for 2pjt_ligand_frag_4.mol2(FDBF00283)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pjt_ligand_frag_4.mol2 | 2pjt | 1 | -5.21 | S(=O)O | 3 |
Structure and binding mode of 2pjt_ligand_frag_4.mol2(FDBF00283)
Important binding residues for 2pjt_ligand_frag_4.mol2(FDBF00283)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2pjt | LEU159 | -0.76 | -1.30 | -2.06 | 0.46 | -1.61 |
| 2pjt | LEU160 | -0.24 | -2.81 | -3.05 | 1.07 | -1.98 |
