Binding information for 1kc7_ligand_frag_0.mol2(FDBF00723)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kc7_ligand_frag_0.mol2 | 1kc7 | 1 | -5.83 | C(=O)(CO)O | 5 |
Structure and binding mode of 1kc7_ligand_frag_0.mol2(FDBF00723)
Important binding residues for 1kc7_ligand_frag_0.mol2(FDBF00723)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1kc7 | ARG617 | -0.22 | -14.23 | -14.45 | 13.33 | -1.12 |
| 1kc7 | GLY766 | -0.15 | -2.40 | -2.55 | 0.41 | -2.14 |
| 1kc7 | THR767 | -0.49 | -0.92 | -1.41 | 0.71 | -0.70 |
| 1kc7 | ASN768 | 1.21 | -14.00 | -12.79 | 8.37 | -4.42 |
| 1kc7 | ASP769 | -0.85 | 31.46 | 30.61 | -33.76 | -3.15 |
| 1kc7 | CYS831 | -0.49 | 0.17 | -0.32 | -0.67 | -0.99 |
| 1kc7 | GLY832 | -0.18 | -3.64 | -3.82 | 2.48 | -1.34 |
