Binding information for 2zmm_ligand_frag_3.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmm_ligand_frag_3.mol2 | 2zmm | 1 | -5.96 | CC(=O)O | 4 |
Structure and binding mode of 2zmm_ligand_frag_3.mol2(FDBF00004)
Important binding residues for 2zmm_ligand_frag_3.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zmm | ASP181 | -0.67 | 18.21 | 17.54 | -19.63 | -2.10 |
| 2zmm | PHE182 | -0.93 | -6.50 | -7.43 | 4.58 | -2.85 |
| 2zmm | CYS215 | -0.35 | -5.36 | -5.71 | 4.84 | -0.86 |
| 2zmm | ILE219 | -0.16 | -2.26 | -2.42 | 1.88 | -0.54 |
| 2zmm | GLY220 | -0.66 | -6.80 | -7.46 | 4.77 | -2.69 |
| 2zmm | ARG221 | -1.37 | -46.21 | -47.58 | 41.06 | -6.52 |
| 2zmm | GLN262 | -0.46 | -2.19 | -2.65 | 2.01 | -0.64 |
| 2zmm | GLN266 | -0.24 | 10.35 | 10.11 | -13.50 | -3.38 |
