BRENDA - Enzyme Database
show all sequences of 3.2.2.8

Structural explanation for the tunable substrate specificity of an E. coli nucleoside hydrolase insights from molecular dynamics simulations

Lenz, S.A.P.; Wetmore, S.D.; J. Comput. Aided Mol. Des. 32, 1375-1388 (2018)

Data extracted from this reference:

Cloned(Commentary)
Commentary
Organism
-
Escherichia coli
Crystallization (Commentary)
Crystallization
Organism
molecular dynamics simulation. Both in wild-type and mutant T223Y/Q227Y, inosine binding is facilitated by interactions of the ribose moiety with active site residues and Ca2+, and pi-interactions between residues His82 and His239 and the nucleobase. The lack of observed activity toward inosine for wild-type CU-NH is explained by no residue being correctly aligned to stabilize the departing nucleobase. A hydrogen-bonding network between hypoxanthine and a general acid Asp15 is present when the two Tyr mutations are engineered into the active site. This hydrogen-bonding network is only maintained when both Tyr mutations are present due to a pi-interaction between the residues
Escherichia coli
Engineering
Amino acid exchange
Commentary
Organism
T223Y/Q227Y
contrary to wild-type, mutant is able to process inosine
Escherichia coli
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Escherichia coli
P33022
-
-
Cloned(Commentary) (protein specific)
Commentary
Organism
-
Escherichia coli
Crystallization (Commentary) (protein specific)
Crystallization
Organism
molecular dynamics simulation. Both in wild-type and mutant T223Y/Q227Y, inosine binding is facilitated by interactions of the ribose moiety with active site residues and Ca2+, and pi-interactions between residues His82 and His239 and the nucleobase. The lack of observed activity toward inosine for wild-type CU-NH is explained by no residue being correctly aligned to stabilize the departing nucleobase. A hydrogen-bonding network between hypoxanthine and a general acid Asp15 is present when the two Tyr mutations are engineered into the active site. This hydrogen-bonding network is only maintained when both Tyr mutations are present due to a pi-interaction between the residues
Escherichia coli
Engineering (protein specific)
Amino acid exchange
Commentary
Organism
T223Y/Q227Y
contrary to wild-type, mutant is able to process inosine
Escherichia coli
Other publictions for EC 3.2.2.8
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Temperature Optimum [C]
Temperature Range [C]
Temperature Stability [C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [C] (protein specific)
Temperature Range [C] (protein specific)
Temperature Stability [C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
751203
Lenz
Structural explanation for th ...
Escherichia coli
J. Comput. Aided Mol. Des.
32
1375-1388
2018
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Fan
QM/MM and MM MD Simulations o ...
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Corynebacterium ammoniagenes
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Giabbai
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Leishmania donovani
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