Computational insight into the catalytic implication of head/tail-first orientation of arachidonic acid in human 5-lipoxygenase: consequences for the positional specificity of oxygenation.

scientific article published on 4 August 2016

Computational insight into the catalytic implication of head/tail-first orientation of arachidonic acid in human 5-lipoxygenase: consequences for the positional specificity of oxygenation. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/C6CP03973A
P698PubMed publication ID27489112

P50authorPatricia SauraQ92156483
José M LluchQ42854756
Laura Masgrau FontanetQ49388894
Jean-Didier MaréchalQ51070700
Àngels González-LafontQ54329602
P2860cites workCanonical dynamics: Equilibrium phase-space distributionsQ21709091
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Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663Q27678617
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesQ29397708
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Verification of protein structures: patterns of nonbonded atomic interactionsQ29615613
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Very fast empirical prediction and rationalization of protein pKa valuesQ29619767
The structural basis for specificity in lipoxygenase catalysisQ30153264
Comparative Protein Structure Modeling Using MODELLERQ30366550
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Structural basis for the positional specificity of lipoxygenasesQ34017581
Molecular dioxygen enters the active site of 12/15-lipoxygenase via dynamic oxygen access channelsQ35941372
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Control of oxygenation in lipoxygenase and cyclooxygenase catalysisQ36831450
Relation between positional specificity and chirality in mammalian lipoxygenases.Q37524019
A single active site residue directs oxygenation stereospecificity in lipoxygenases: stereocontrol is linked to the position of oxygenationQ37595527
Regulation of the activity of 5-lipoxygenase, a key enzyme in leukotriene biosynthesisQ37759804
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Novel di-tertiary-butyl phenylhydrazones as dual cyclooxygenase-2/5-lipoxygenase inhibitors: synthesis, COX/LOX inhibition, molecular modeling, and insights into their cytotoxicitiesQ39051205
Applicability of the triad concept for the positional specificity of mammalian lipoxygenasesQ41947559
Insights into the mechanism of binding of arachidonic acid to mammalian 15-lipoxygenases.Q43080378
Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical properties.Q43848421
Role of Arg403 for thermostability and catalytic activity of rabbit 12/15-lipoxygenaseQ44629168
Conversion of pro-inflammatory murine Alox5 into an anti-inflammatory 15S-lipoxygenating enzyme by multiple mutations of sequence determinants.Q45903100
DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package.Q52303675
Zeolite Structure and Reactivity by Combined Quantum-Chemical−Classical CalculationsQ56991632
QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysisQ56991637
Updating quasi-Newton matrices with limited storageQ57311063
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Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinatesQ57398100
P433issue33
P407language of work or nameEnglishQ1860
P304page(s)23017-23035
P577publication date2016-08-04
P1433published inPhysical Chemistry Chemical PhysicsQ3018671
P1476titleComputational insight into the catalytic implication of head/tail-first orientation of arachidonic acid in human 5-lipoxygenase: consequences for the positional specificity of oxygenation.
P478volume18

Reverse relations

Q89411784Application of Docking Analysis in the Prediction and Biological Evaluation of the Lipoxygenase Inhibitory Action of Thiazolyl Derivatives of Mycophenolic Acidcites workP2860

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