Binding information for 2b4l_ligand_frag_1.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b4l_ligand_frag_1.mol2 | 2b4l | 1 | -6.00 | CC(=O)O | 4 |
Structure and binding mode of 2b4l_ligand_frag_1.mol2(FDBF00004)
Important binding residues for 2b4l_ligand_frag_1.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b4l | ILE21 | -0.19 | -19.64 | -19.83 | 19.33 | -0.50 |
| 2b4l | SER25 | -0.64 | -6.44 | -7.08 | 2.83 | -4.26 |
| 2b4l | GLY26 | 0.10 | -9.88 | -9.78 | 4.73 | -5.05 |
| 2b4l | ILE27 | -0.40 | -7.27 | -7.67 | 4.01 | -3.67 |
| 2b4l | VAL176 | -0.05 | -16.80 | -16.85 | 16.52 | -0.34 |
| 2b4l | ALA206 | -0.07 | -21.45 | -21.52 | 21.11 | -0.41 |
| 2b4l | THR229 | -0.65 | -22.86 | -23.51 | 21.78 | -1.73 |
| 2b4l | HIS230 | 1.30 | -11.95 | -10.65 | 6.69 | -3.96 |
