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  • 551.7  (6)
  • MECHANICAL ENGINEERING  (6)
  • PHYSICS, ATOMIC, MOLECULAR, AND NUCLEAR  (3)
  • Protein Structure, Tertiary  (3)
  • 1
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    Observation of covalent intermediates in an enzyme mechanism at atomic resolution (2001)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2001-10-13
    Description: In classical enzymology, intermediates and transition states in a catalytic mechanism are usually inferred from a series of biochemical experiments. Here, we derive an enzyme mechanism from true atomic-resolution x-ray structures of reaction intermediates. Two ultra-high resolution structures of wild-type and mutant d-2-deoxyribose-5-phosphate (DRP) aldolase complexes with DRP at 1.05 and 1.10 angstroms unambiguously identify the postulated covalent carbinolamine and Schiff base intermediates in the aldolase mechanism. In combination with site-directed mutagenesis and (1)H nuclear magnetic resonance, we can now propose how the heretofore elusive C-2 proton abstraction step and the overall stereochemical course are accomplished. A proton relay system appears to activate a conserved active-site water that functions as the critical mediator for proton transfer.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Heine, A -- DeSantis, G -- Luz, J G -- Mitchell, M -- Wong, C H -- Wilson, I A -- GM44154/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 2001 Oct 12;294(5541):369-74.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Molecular Biology, Skaggs Institute for Chemical Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11598300" target="_blank"〉PubMed〈/a〉
    Keywords: Aldehyde-Lyases/*chemistry/genetics/*metabolism ; Amino Acid Substitution ; Binding Sites ; Catalysis ; Chemistry, Physical ; Crystallization ; Crystallography, X-Ray ; Escherichia coli/enzymology ; Hydrogen Bonding ; Hydrogen-Ion Concentration ; Ligands ; Lysine/chemistry ; Models, Chemical ; Mutagenesis, Site-Directed ; Mutation ; Nuclear Magnetic Resonance, Biomolecular ; Physicochemical Phenomena ; Protein Conformation ; Protein Folding ; Protein Structure, Tertiary ; Protons ; Ribosemonophosphates/*chemistry/*metabolism ; Schiff Bases ; Water
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 2
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    Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex (2008)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2008-03-01
    Description: The blue-emissive antibody EP2-19G2 that has been elicited against trans-stilbene has unprecedented ability to produce bright luminescence and has been used as a biosensor in various applications. We show that the prolonged luminescence is not stilbene fluorescence. Instead, the emissive species is a charge-transfer excited complex of an anionic stilbene and a cationic, parallel pi-stacked tryptophan. Upon charge recombination, this complex generates exceptionally bright blue light. Complex formation is enabled by a deeply penetrating ligand-binding pocket, which in turn results from a noncanonical interface between the two variable domains of the antibody.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Debler, Erik W -- Kaufmann, Gunnar F -- Meijler, Michael M -- Heine, Andreas -- Mee, Jenny M -- Pljevaljcic, Goran -- Di Bilio, Angel J -- Schultz, Peter G -- Millar, David P -- Janda, Kim D -- Wilson, Ian A -- Gray, Harry B -- Lerner, Richard A -- DK19038/DK/NIDDK NIH HHS/ -- GM38273/GM/NIGMS NIH HHS/ -- GM56528/GM/NIGMS NIH HHS/ -- R01 GM038273/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 2008 Feb 29;319(5867):1232-5. doi: 10.1126/science.1153445.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Molecular Biology, Scripps Research Institute, La Jolla, CA 92037, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18309081" target="_blank"〉PubMed〈/a〉
    Keywords: Antibodies, Monoclonal/*chemistry/genetics/immunology ; Antigen-Antibody Complex ; Binding Sites, Antibody ; Crystallization ; Crystallography, X-Ray ; *Electrons ; Fluorescence ; Fluorescence Polarization ; Haptens/chemistry/immunology ; Hydrophobic and Hydrophilic Interactions ; Immunoglobulin Variable Region/*chemistry/immunology ; Ligands ; Luminescence ; Mutation ; Oxidation-Reduction ; Protein Structure, Tertiary ; Spectrometry, Fluorescence ; Spectrum Analysis ; Stilbenes/*chemistry/immunology ; Tryptophan/chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 3
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    Vinylogous chain branching catalysed by a dedicated polyketide synthase module (2013)
    Nature Publishing Group (NPG)
    Details
    Publication Date: 2013-09-21
    Description: Bacteria use modular polyketide synthases (PKSs) to assemble complex polyketides, many of which are leads for the development of clinical drugs, in particular anti-infectives and anti-tumoral agents. Because these multifarious compounds are notoriously difficult to synthesize, they are usually produced by microbial fermentation. During the past two decades, an impressive body of knowledge on modular PKSs has been gathered that not only provides detailed insight into the biosynthetic pathways but also allows the rational engineering of enzymatic processing lines to yield structural analogues. Notably, a hallmark of all PKS modules studied so far is the head-to-tail fusion of acyl and malonyl building blocks, which leads to linear backbones. Yet, structural diversity is limited by this uniform assembly mode. Here we demonstrate a new type of PKS module from the endofungal bacterium Burkholderia rhizoxinica that catalyses a Michael-type acetyl addition to generate a branch in the carbon chain. In vitro reconstitution of the entire PKS module, X-ray structures of a ketosynthase-branching didomain and mutagenesis experiments revealed a crucial role of the ketosynthase domain in branching the carbon chain. We present a trapped intermediary state in which acyl carrier protein and ketosynthase are covalently linked by the branched polyketide and suggest a new mechanism for chain alkylation, which is functionally distinct from terpenoid-like beta-branching. For the rice seedling blight toxin rhizoxin, one of the strongest known anti-mitotic agents, the non-canonical polyketide modification is indispensable for phytotoxic and anti-tumoral activities. We propose that the formation of related pharmacophoric groups follows the same general scheme and infer a unifying vinylogous branching reaction for PKS modules with a ketosynthase-branching-acyl-carrier-protein architecture. This study unveils the structure and function of a new PKS module that broadens the biosynthetic scope of polyketide biosynthesis and sets the stage for rationally creating structural diversity.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Bretschneider, Tom -- Heim, Joel B -- Heine, Daniel -- Winkler, Robert -- Busch, Benjamin -- Kusebauch, Bjorn -- Stehle, Thilo -- Zocher, Georg -- Hertweck, Christian -- England -- Nature. 2013 Oct 3;502(7469):124-8. doi: 10.1038/nature12588. Epub 2013 Sep 18.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Biomolecular Chemistry, Leibniz Institute for Natural Product Research and Infection Biology (HKI), Jena 07745, Germany.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/24048471" target="_blank"〉PubMed〈/a〉
    Keywords: Burkholderia/chemistry/*enzymology/genetics ; Catalysis ; Crystallography, X-Ray ; Lactones/metabolism ; Macrolides/chemistry ; *Models, Molecular ; Mutagenesis ; Polyketide Synthases/genetics/*metabolism ; Protein Structure, Tertiary
    Print ISSN: 0028-0836
    Electronic ISSN: 1476-4687
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Published by Nature Publishing Group (NPG)
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  • 4
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    Role of screening in surface ion neutralization. (1966)
    In:  Other Sources
    Details
    Publication Date: 2011-08-11
    Description: Screening effect on Coulomb interaction, electron-ion recombination and surface neutralization
    Keywords: PHYSICS, ATOMIC, MOLECULAR, AND NUCLEAR
    Type: PHYSICAL REVIEW
    Format: text
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    NASA TECHNICAL REPORTS
  • 5
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    Electronic structure of Ca, Sr, and Ba under pressure. (1967)
    In:  Other Sources
    Details
    Publication Date: 2011-08-11
    Description: Electronic band structure calculations phase of Ca, Sr and Ba over wide range of atomic volumes under pressure electronic band structure calculations for fcc phase of Ca, Sr and Ba over wide range of atomic volumes under pressure electronic band structure calculations for fcc phase of Ca, Sr and Ba over wide range of atomic volumes under pressure
    Keywords: PHYSICS, ATOMIC, MOLECULAR, AND NUCLEAR
    Type: PHYSICAL REVIEW
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  • 6
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    Pseudopotentials, the sizes of atoms and their s-p splittings. (1966)
    In:  Other Sources
    Details
    Publication Date: 2011-08-11
    Description: Free-atomic pseudopotentials, sizes, s-p splittings and pseudowave functions
    Keywords: PHYSICS, ATOMIC, MOLECULAR, AND NUCLEAR
    Type: JOURNAL OF CHEMICAL PHYSICS
    Format: text
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  • 7
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    Generated spiral bevel gears - Optimal machine-tool settings and tooth contact analysis (1985)
    In:  Other Sources
    Details
    Publication Date: 2019-06-28
    Description: Geometry and kinematic errors were studied for Gleason generated spiral bevel gears. A new method was devised for choosing optimal machine settings. These settings provide zero kinematic errors and an improved bearing contact. The kinematic errors are a major source of noise and vibration in spiral bevel gears. The improved bearing contact gives improved conditions for lubrication. A computer program for tooth contact analysis was developed, and thereby the new generation process was confirmed. The new process is governed by the requirement that during the generation process there is directional constancy of the common normal of the contacting surfaces for generator and generated surfaces of pinion and gear.
    Keywords: MECHANICAL ENGINEERING
    Type: SAE PAPER 851573
    Format: text
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    NASA TECHNICAL REPORTS
  • 8
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    Determination of settings of a tilted head-cutter for generation of hypoid and spiral bevel gears (1988)
    In:  CASI
    Details
    Publication Date: 2019-06-28
    Description: Kinematics of Gleason mechanisms of hypoid and spiral bevel cutting machines are considered. These mechanisms are designated to install the position and tilt of the head cutter. The tilt of the head cutter with standard blades provides the required pressure angle. The authors have developed the matrix presentation of kinematics of these meachanisms and basic equations for the required settings. An example is presented based on the developed computation procedure.
    Keywords: MECHANICAL ENGINEERING
    Type: NASA-CR-182138 , NAS 1.26:182138 , AVSCOM-TR-88-C-016 , AD-A196985
    Format: application/pdf
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  • 9
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    Generated spiral bevel gears: Optimal machine-tool settings and tooth contact analysis (1985)
    In:  CASI
    Details
    Publication Date: 2019-06-28
    Description: Geometry and kinematic errors were studied for Gleason generated spiral bevel gears. A new method was devised for choosing optimal machine settings. These settings provide zero kinematic errors and an improved bearing contact. The kinematic errors are a major source of noise and vibration in spiral bevel gears. The improved bearing contact gives improved conditions for lubrication. A computer program for tooth contact analysis was developed, and thereby the new generation process was confirmed. The new process is governed by the requirement that during the generation process there is directional constancy of the common normal of the contacting surfaces for generator and generated surfaces of pinion and gear.
    Keywords: MECHANICAL ENGINEERING
    Type: NASA-TM-87075 , E-2648 , NAS 1.15:87075 , USAAVSCOM-TR-85-C-9
    Format: application/pdf
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  • 10
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    Method for generation of spiral bevel gears with conjugate gear tooth surfaces (1987)
    In:  Other Sources
    Details
    Publication Date: 2019-06-28
    Description: A method for generation of spiral bevel gears is proposed that provides conjugate gear tooth surfaces. This method is based on a new principle for the performance of parallel motion of a straight line that slides along two mating ellipses with related dimensions and parameters of orientation. The parallel motion of the straight line, that is, the contact normal, is performed parallel to the line which passes through the foci of symmetry of the related ellipses. The manufacturing of gears can be performed with the existing Gleason's equipment.
    Keywords: MECHANICAL ENGINEERING
    Type: ASME PAPER 86-DET-3 , ASME; 163-170
    Format: text
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