Crystallization (Comment) | Organism |
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docking and molecular dynamics calculations to examine the anthrax lethal factor-MEK/MKK interaction along the catalytic channel up to a distance of 20 A from the zinc atom. The Zn-bound water molecule is predicted to form hydrogen bonds with the carbonyl oxygen of Ile, i.e. P1' of substrates MEK1, MKK3b, Leu, ie. P1' of substrate MKK4-1, and Leu, ie. P2 of substrate MKK6b as well as with the hydroxyl group of Thr, i.e. P2' of substrate MKK4-2. This hydrogen bond is an additional contact to the already existing polarization of the carbonyl oxygen between Zn and Glu687 carboxylate | Bacillus anthracis |
Organism | UniProt | Comment | Textmining |
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Bacillus anthracis | - |
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Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
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MEK1 + H2O | mitogen-activated protein kinase kinase, cleavage between residues 8-9 | Bacillus anthracis | ? | - |
? | |
MEK2 + H2O | mitogen-activated protein kinase kinase, cleavage between residues 10-11 | Bacillus anthracis | ? | - |
? | |
MKK3b + H2O | mitogen-activated protein kinase kinase, cleavage between residues 26-27 | Bacillus anthracis | ? | - |
? | |
MKK4 + H2O | mitogen-activated protein kinase kinase, cleavage between residues 45-46 and 58-59 | Bacillus anthracis | ? | - |
? | |
MKK6b + H2O | mitogen-activated protein kinase kinase, cleavage between residues 14-15 | Bacillus anthracis | ? | - |
? | |
MKK7beta + H2O | mitogen-activated protein kinase kinase, cleavage between residues 44-45 and 76-77 | Bacillus anthracis | ? | - |
? |