Binding information for 2c6c_ligand_2_5.mol2(FDBF00047)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c6c_ligand_2_5.mol2 | 2c6c | 1 | -6.27 | CC(C(=O)O)C | 6 |
Structure and binding mode of 2c6c_ligand_2_5.mol2(FDBF00047)
Important binding residues for 2c6c_ligand_2_5.mol2(FDBF00047)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c6c | PHE209 | -0.60 | -24.33 | -24.93 | 24.16 | -0.76 |
| 2c6c | ARG210 | 0.94 | -51.87 | -50.93 | 41.43 | -9.49 |
| 2c6c | GLY256 | -0.11 | -2.77 | -2.88 | 2.48 | -0.41 |
| 2c6c | ASP387 | -0.13 | 23.59 | 23.46 | -25.09 | -1.63 |
| 2c6c | GLU425 | -0.82 | 33.29 | 32.47 | -33.54 | -1.06 |
| 2c6c | LEU428 | -0.37 | -0.90 | -1.27 | 0.86 | -0.40 |
| 2c6c | ASP453 | -0.07 | 4.98 | 4.91 | -5.36 | -0.44 |
| 2c6c | ASN519 | -0.30 | -1.46 | -1.76 | 1.44 | -0.32 |
| 2c6c | HIS553 | -0.45 | 14.02 | 13.57 | -14.43 | -0.85 |
| 2c6c | TYR700 | 2.04 | 3.23 | 5.27 | -7.15 | -1.88 |
