Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Zn2+ | a zinc metalloprotease | Bacillus thermoproteolyticus |
Organism | UniProt | Comment | Textmining |
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Bacillus thermoproteolyticus | - |
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- |
Reaction | Comment | Organism | Reaction ID |
---|---|---|---|
preferential cleavage: -/-Leu > -/-Phe | classical molecular dynamics simulation., and ab initio quantum mechanics/molecular mechanics, QM/MM, investigation of the Glu143-assisted water addition mechanism in thermolysin peptide hydrolysis. The mechanism consists of three distinct steps: (i) a Zn-bound water molecule is deprotonated by Glu143 and attacks the carbonyl bond of the substrate; (ii) Glu143 transfers the proton to the amide nitrogen atom; (iii) the nitrogen atom is protonated and the peptide bond is irreversibly broken. Transition state stabilization for nucleophilic attack is achieved by formation of a weak coordination bond between the substrate carbonyl oxygen atom and the Zn ion and of three strong hydrogen bonds between the substrate and protonated His231 and two solvent molecules, overview | Bacillus thermoproteolyticus |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
Ac-Gly-Leu-Ala-methylamide + H2O | model substrate, enzyme-substrate complex, docking structures, overview | Bacillus thermoproteolyticus | ? | - |
ir |
Synonyms | Comment | Organism |
---|---|---|
TLN | - |
Bacillus thermoproteolyticus |