Binding information for 2c1b_ligand_2_5.mol2(FDBF02227)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1b_ligand_2_5.mol2 | 2c1b | 0.777778 | -5.58 | CO[C@H]1C[NH2+]CC1 | 7 |
Structure and binding mode of 2c1b_ligand_2_5.mol2(FDBF02227)
Important binding residues for 2c1b_ligand_2_5.mol2(FDBF02227)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1b | GLU91 | -0.01 | -26.20 | -26.21 | 25.91 | -0.31 |
| 2c1b | GLU127 | 0.75 | -46.66 | -45.91 | 42.84 | -3.07 |
| 2c1b | GLU170 | -0.71 | -25.20 | -25.91 | 25.41 | -0.50 |
