Binding information for 1d6s_ligand_frag_1.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1d6s_ligand_frag_1.mol2 | 1d6s | 1 | -5.99 | CC(=O)O | 4 |
Structure and binding mode of 1d6s_ligand_frag_1.mol2(FDBF00004)
Important binding residues for 1d6s_ligand_frag_1.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1d6s | THR68 | -0.07 | -14.40 | -14.47 | 10.58 | -3.90 |
| 1d6s | ASN69 | -0.35 | -18.75 | -19.1 | 10.35 | -8.76 |
| 1d6s | GLY70 | -0.43 | -4.11 | -4.54 | 2.61 | -1.92 |
| 1d6s | ASN71 | -0.69 | -7.55 | -8.24 | 5.26 | -2.98 |
| 1d6s | THR72 | -0.67 | -6.18 | -6.85 | 4.71 | -2.15 |
| 1d6s | GLN142 | -0.02 | -25.28 | -25.3 | 20.58 | -4.72 |
| 1d6s | ARG304 | -0.01 | -28.04 | -28.05 | 27.72 | -0.33 |
