The Locally Enhanced Sampling Study of Large Ligands Diffusion inside Enzyme. Acrylonitrile and Acrylamide Journey in Nitrile Hydratase
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منابع مشابه
Molecular dynamics simulations of the photoactive protein nitrile hydratase.
Nitrile hydratase (NHase) is an enzyme used in the industrial biotechnological production of acrylamide. The active site, which contains nonheme iron or noncorrin cobalt, is buried in the protein core at the interface of two domains, alpha and beta. Hydrogen bonds between betaArg-56 and alphaCys-114 sulfenic acid (alphaCEA114) are important to maintain the enzymatic activity. The enzyme may be ...
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Nitrile is a functional group that usually is transformed to amides or carboxylic acids under strong reaction conditions in acidic or basic media and high temperatures. Amides have also been prepared from nitriles at room temperature using strong oxidizing agents such as hydrogen peroxide or sodium superoxide in DMSO. On the other hand biocatalytic hydrolysis of nitriles mediated by nitrilase, ...
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Nitrile hydratase (NHase, EC 4.2.1.84) is a metalloenzyme which catalyses the conversion of nitriles to amides. The high efficiency and broad substrate range of NHase have led to the successful application of this enzyme as a biocatalyst in the industrial syntheses of acrylamide and nicotinamide and in the bioremediation of nitrile waste. Crystal structures of both cobalt(III)- and iron(III)-de...
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Alcaligenes sp. MTCC 10674 has a bienzymatic system for the hydrolysis of nitriles. The nitrile hydratase and amidase have been purified simultaneously to homogeneity using a combination of (NH)4SO4 precipitation, ion exchange chromatography and gel permeation chromatography. Nitrile hydratase and amidase have molecular weight of 47 and 114 kDa, respectively and exist as heterodimer. Optimum te...
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Rhodococcus sp. strain M8 is a nitrile-degrading bacterium isolated from acrylonitrile-contaminated sites. This strain produces the enzymes for sequential nitrile degradation, cobalt-type nitrile hydratase, and amidase in large amounts. Its draft genome sequence, announced here, has an estimated size of 6.3 Mbp.
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