Binding information for 4b1c_ligand_frag_4.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b1c_ligand_frag_4.mol2 | 4b1c | 1 | -5.47 | C#CC | 3 |
Structure and binding mode of 4b1c_ligand_frag_4.mol2(FDBF01877)
Important binding residues for 4b1c_ligand_frag_4.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b1c | GLN12 | -0.43 | -0.15 | -0.58 | 0.13 | -0.46 |
| 4b1c | GLY13 | -0.44 | -0.11 | -0.55 | 0.19 | -0.35 |
| 4b1c | LEU30 | -0.33 | -0.14 | -0.47 | 0.16 | -0.31 |
| 4b1c | GLY230 | -0.80 | -0.16 | -0.96 | 0.17 | -0.79 |
| 4b1c | THR231 | -0.80 | -0.35 | -1.15 | 0.22 | -0.93 |
