Binding information for 4qbb_ligand_4_91.mol2(FDBF06098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qbb_ligand_4_91.mol2 | 4qbb | 1 | -5.80 | C[C@H](O)C(=O)NCC | 8 |
Structure and binding mode of 4qbb_ligand_4_91.mol2(FDBF06098)
Important binding residues for 4qbb_ligand_4_91.mol2(FDBF06098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4qbb | GLY97 | -1.12 | -1.58 | -2.7 | 1.30 | -1.40 |
| 4qbb | GLY98 | -1.16 | 0.43 | -0.73 | -0.08 | -0.81 |
