Table 4.
Distances between Zn(II) and the coordinated histidine residues in the QM/MM optimized geometry of MMP-1•THP and MMP-1 Co1•THP.
Atoms | Distance (Å) (QM/MM) |
||
---|---|---|---|
MMP-1•THP | MMP-1 Co1•THP | ||
| |||
Zn(II)/Co(II) | His199-NE2 | 2.06 | 2.07 |
Zn(II)/Co(II) | His203-NE2 | 2.19 | 2.11 |
Zn(II)/Co(II) | His209-NE2 | 2.05 | 2.09 |