Table 3.
Some example complexes showing the relations between sp3 hybridized Carbon & sp2 hybridized Carbon VDW interaction, Zn chelation and pKd.
| PDB Code | VDW C3_C2 | Zn Chelation | pKd |
|---|---|---|---|
| 1vkj | −16.885 | N/A | 4.85 |
| 1a99 | −12.084 | N/A | 5.70 |
| 1apb | −15.76 | N/A | 5.82 |
| 1b58 | −37.926 | N/A | 6.59 |
| 1lrh | −28.539 | N/A | 6.82 |
| 1h2t | −23.873 | N/A | 7.89 |
| 1fcy | −60.245 | N/A | 8.52 |
| 1kdk | −27.797 | N/A | 9.05 |
| 2fgu | −45.694 | N/A | 9.18 |
| 1mrw | −39.35 | N/A | 9.7 |
| 1df8 | −42.823 | N/A | 9.92 |
| 1xpz | −12.559 | Y | 7.08 |
| 1cny | −15.87 | Y | 7.85 |
| 1ydb | −3.7781 | Y | 8.24 |
| 1cim | −12.885 | Y | 8.82 |
| 1cil | −14.889 | Y | 9.43 |
| 1bnt | −14.195 | Y | 9.89 |
| 1bnn | −3.683 | Y | 10.00 |