Binding information for 2pjt_ligand_frag_0.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pjt_ligand_frag_0.mol2 | 2pjt | 1 | -5.49 | CC#C | 3 |
Structure and binding mode of 2pjt_ligand_frag_0.mol2(FDBF01877)
Important binding residues for 2pjt_ligand_frag_0.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2pjt | LEU193 | -1.16 | 0.02 | -1.14 | -0.00 | -1.14 |
| 2pjt | HIS197 | -0.47 | 0.10 | -0.37 | -0.02 | -0.39 |
| 2pjt | LEU214 | -0.80 | 0.23 | -0.57 | -0.09 | -0.66 |
| 2pjt | TYR219 | -0.88 | -0.16 | -1.04 | 0.14 | -0.90 |
