Binding information for 2qcf_ligand_frag_0.mol2(FDBF02504)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qcf_ligand_frag_0.mol2 | 2qcf | 0.324786 | -6.28 | F[C@H]1C(=O)NC(=O)N=C1 | 9 |
Structure and binding mode of 2qcf_ligand_frag_0.mol2(FDBF02504)
Important binding residues for 2qcf_ligand_frag_0.mol2(FDBF02504)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qcf | MET371 | -1.13 | -1.38 | -2.51 | 0.91 | -1.60 |
| 2qcf | SER372 | 0.25 | -4.49 | -4.24 | 0.60 | -3.64 |
| 2qcf | PRO417 | -1.29 | 0.23 | -1.06 | 0.51 | -0.55 |
| 2qcf | GLY418 | -0.24 | -0.48 | -0.72 | 0.41 | -0.31 |
| 2qcf | GLN430 | -0.13 | -3.45 | -3.58 | 2.68 | -0.90 |
