Binding information for 2ipo_ligand_frag_2.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ipo_ligand_frag_2.mol2 | 2ipo | 1 | -5.43 | C(=O)N | 3 |
Structure and binding mode of 2ipo_ligand_frag_2.mol2(FDBF00003)
Important binding residues for 2ipo_ligand_frag_2.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ipo | ARG105 | -0.18 | -6.16 | -6.34 | 4.68 | -1.66 |
| 2ipo | HIS134 | 0.85 | -3.06 | -2.21 | 0.68 | -1.53 |
| 2ipo | LEU267 | 0.56 | -4.00 | -3.44 | 2.91 | -0.53 |
| 2ipo | PRO268 | -0.20 | -0.50 | -0.7 | 0.28 | -0.43 |
