图1从BRENDA数据到EnzymeMap的数据清洗流程 首先,作者经文献3中的方法提取得到BRENDA反应文本(图2 Reaction text)。可逆反应带有“{r}”标记,其他反应不可逆或可逆性未知。第二步,作者将反应文本中的化合物名转化为SMILES以获得反应的SMILES表示(图2 Reaction SMILES)。若有多个SMILES与化合物名匹配,则所有可能的组合...
As well as providing analogous roles in multiple reactions, in a few examples reactive groups are used for alternative catalytic roles in each function [22], or only act in one of the catalysed reactions [23–25]. Terpene synthases can create up to 52 distinct products by using the same ...
Enzymatic catalysis changes the timescales of otherwise slow chemical reactions, making them commensurate with those of biological processes. An enzyme’s capacity to enhance the rate of its catalysed reaction depends on its ability to reduce the free energy of transition state compound(s) (that is...
The double arrow indicates that the reaction is reversible while the single arrow indicates that the reaction can go only one way. For many chemical reactions, including those just described, the reaction velocity V is related to the substrate concentration [S] by the Michaelis–Menten equation (...
We studied the effects of single-enzyme knockouts on the properties of the resulting enzyme-catalysed reaction networks and determined the enzymes most likely to be responsible for heterogeneity. 展开 DOI: 10.1371/journal.pcbi.1004844 被引量: 3 ...
ENZyme KINetics is the study of the chemical reactions that are catalysed by enzymes. In enzyme kinetics the reaction rate is measured and the effects of varying the conditions of the reaction investigated. Studying an enzyme kinetics in this way can reveal the catalytic mechanism of this enzyme,...
protein sequence, organism name andkcatvalue. The final dataset contained 16,838 unique entries catalysed by 7,822 unique protein sequences from 851 organisms and converting 2,672 unique substrates (Supplementary Figs.1and2). This dataset was randomly split into training, validation and test dataset...
multi-enzymeredoxsystemA highly sensitive and simple spectrofluorimetric method for the determination of rutin, based on its activated effect on a haemoglobin-catalysed reaction, was developed. Under optimum conditions, the concentration of rutin was linear, with decreased fluorescence (ΔF) of the ...
the number of substrate molecules being catalysed per second. This varies considerably from 10 in the case of lysozyme to 600,000 in the case of carbonic anhydrase. The binding energy of a substrate in the Michaelis-complex and the activation energy of the overall enzymatic reaction are ...
Time-course of an enzyme-catalysed reaction in the presence of an irreversible inhibitor. The inhibitor concentration in this example is sufficient to cause complete inhibition. Scheme 6. Irreversible active site directed inhibition. In the second type, the inhibitor is not intrinsically reactive. ...