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Literature summary for 3.4.21.4 extracted from
- Trypsin mutants for structure-based drug design: expression, refolding and crystallisation (2002), Biol. Chem., 383, 1309-1314.
Application
| Application | Comment | Organism |
|---|---|---|
| analysis | experimental system for the structural and physico-chemical analysis of factor Xa inhibitors in trypsin variants with factor Xa phenotype: E97N/Y99L, S190A, E97N/Y99L/S190A | Bos taurus |
Crystallization (Commentary)
| Crystallization (Comment) | Organism |
|---|---|
| crystallization of the mutant enzyme E97N/Y99L/S190A in presence of the inhibitors benzamidine, [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone or 2,7-bis(4-amidinobenzylidene)cycloheptan-1-one | Bos taurus |
Protein Variants
| Protein Variants | Comment | Organism |
|---|---|---|
| E97N/Y99L | Km value for Pefachrome is 1.5fold higher than the Km-value of the wild-type enzyme. The KI-value for benzamidine is 92% of the wild-type value, the KI-value for [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone is 17% of the wild-type value, the KI-value for 2,7-bis(4-amidinobenzylidene)cycloheptan-1-one is 1.75fold higher than the wild-type value | Bos taurus |
| E97N/Y99L/S190A | Km value for Pefachrome is 3.7fold higher than the Km-value of the wild-type enzyme. The KI-value for benzamidine is 1.3fold higher than wild-type value, the KI-value for [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone is 6.7% of the wild-type value, the KI-value for 2,7-bis(4-amidinobenzylidene)cycloheptan-1-one is 2.25fold higher than the wild-type value | Bos taurus |
| S190A | Km value for Pefachrome is 1.9fold higher than the Km-value of the wild-type enzyme. The KI-value for benzamidine is 87% of the wild-type value, the KI-value for [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone is 60% of the wild-type value, the KI-value for 2,7-bis(4-amidinobenzylidene)cycloheptan-1-one is 75% of the wild-type value | Bos taurus |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl)-(3,4,5-6-tetrahydro[2H-1,4']bipyridinyl-4yl)-methanone | - |
Bos taurus |  |
| 2,7-bis(4-amidinobenzylidene)cycloheptan-1-one | unspecific strong inhibition | Bos taurus | |
| benzamidine | unspecific, weak inhibition | Bos taurus | |
KM Value [mM]
| KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.023 | - |
Pefachrome | pH 8.0, wild-type enzyme | Bos taurus | |
| 0.0342 | - |
Pefachrome | pH 8.0, mutant enzyme E97N/Y99L | Bos taurus | |
| 0.0443 | - |
Pefachrome | pH 8.0, mutant enzyme S190A | Bos taurus | |
| 0.0844 | - |
Pefachrome | pH 8.0, mutant enzyme E97N/Y99L/S190A | Bos taurus | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Bos taurus | - |
- |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| Pefachrome + H2O | - |
Bos taurus | ? | - |
? | |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.0003 | - |
2,7-bis(4-amidinobenzylidene)cycloheptan-1-one | pH 8.0, mutant enzyme S190A | Bos taurus | |
| 0.0004 | - |
2,7-bis(4-amidinobenzylidene)cycloheptan-1-one | pH 8.0, wild-type enzyme | Bos taurus | |
| 0.0007 | - |
2,7-bis(4-amidinobenzylidene)cycloheptan-1-one | pH 8.0, mutant enzyme E97N/Y99L | Bos taurus | |
| 0.0009 | - |
2,7-bis(4-amidinobenzylidene)cycloheptan-1-one | pH 8.0, mutant enzyme E97N/Y99L/S190A | Bos taurus | |
| 0.0023 | - |
[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone | pH 8.0, mutant enzyme E97N/Y99L | Bos taurus | |
| 0.0067 | - |
[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone | pH 8.0, mutant enzyme E97N/Y99L/S190A | Bos taurus | |
| 0.008 | - |
[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone | pH 8.0, mutant enzyme S190A | Bos taurus | |
| 0.0134 | - |
[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3,4,5-6-tetrahydro-[2H-1,4']bipyridinyl-4yl)-methanone | pH 8.0, wild-type enzyme | Bos taurus | |
| 0.034 | - |
benzamidine | pH 8.0, mutant enzyme S190A | Bos taurus | |
| 0.036 | - |
benzamidine | pH 8.0, mutant enzyme E97N/Y99L | Bos taurus | |
| 0.039 | - |
benzamidine | pH 8.0, wild-type enzyme | Bos taurus | |
| 0.053 | - |
benzamidine | pH 8.0, mutant enzyme E97N/Y99L/S190A | Bos taurus | |
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