Search results for "Apoproteins"

showing 3 items of 13 documents

On the Applicability of Elastic Network Normal Modes in Small-Molecule Docking

2012

Incorporating backbone flexibility into protein-ligand docking is still a challenging problem. In protein-protein docking, normal mode analysis (NMA) has become increasingly popular as it can be used to describe the collective motions of a biological system, but the question of whether NMA can also be useful in predicting the conformational changes observed upon small-molecule binding has only been addressed in a few case studies. Here, we describe a large-scale study on the applicability of NMA for protein-ligand docking using 433 apo/holo pairs of the Astex data sets. On the basis of sets of the first normal modes from the apo structure, we first generated for each paired holo structure a…

Models MolecularProtein ConformationComputer scienceGeneral Chemical Engineeringfood and beveragesGeneral ChemistryLibrary and Information SciencesElastic networkSmall moleculeElasticityComputer Science ApplicationsSmall Molecule LibrariesProtein–ligand dockingNormal modeDocking (molecular)Searching the conformational space for dockingComputational chemistryApoproteinsBiological systemJournal of Chemical Information and Modeling
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Refolding of the integral membrane protein light-harvesting complex II monitored by pulse EPR

2009

The major light-harvesting chlorophyll a / b complex (LHCII) of the photosynthetic apparatus in plants self-organizes in vitro. The recombinant apoprotein, denatured in dodecyl sulfate, spontaneously folds when it is mixed with its pigments, chlorophylls, and carotenoids in detergent solution, and assembles into structurally authentic LHCII in the course of several minutes. Pulse EPR techniques, specifically double-electron-electron resonance (DEER), have been used to analyze protein folding during this process. Pairs of nitroxide labels were introduced site-specifically into recombinant LHCII and shown not to affect the stability and function of the pigment-protein complex. Interspin dist…

Protein DenaturationProtein FoldingTime FactorsMultidisciplinaryPulsed EPRSuperhelixChemistryElectron Spin Resonance SpectroscopyLight-Harvesting Protein ComplexesPeasMembrane ProteinsElectronsBiological SciencesModels BiologicalProtein Structure SecondaryTransmembrane domainB vitaminsCrystallographyProtein structureMutationHelixSpin LabelsProtein foldingApoproteinsIntegral membrane proteinProceedings of the National Academy of Sciences
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Proteomics of Galápagos Marine Iguanas Links Function of Femoral Gland Proteins to the Immune System

2020

Femoral glands secrete a wax-like substance on the inner side of lizard hind legs, which is thought to function as a mode of chemical communication. Though the minor volatile fraction is well studied, the major protein fraction remains enigmatic. Here, we use proteomics to analyze proteins in femoral gland secretions of the Galápagos marine iguana. Although we found no evidence for proteins and peptides involved in chemical communication, we found several immune-regulatory proteins which also demonstrate anti-microbial functions. Accordingly, we show that femoral gland proteins and peptides function as a barrier against microbial infection and may prevent the rapid degradation of volatile s…

ProteomicsProteomeProteomicsBiochemistryAnalytical ChemistryAnti-Infective AgentsTandem Mass Spectrometrydatabase designprotease inhibitor protein identificationLungSkin0303 health sciencesMuscles030302 biochemistry & molecular biologyBrainHigh-Throughput Nucleotide SequencingHeartBlood proteinsanimal modelsmarine iguanaBiochemistryOrgan SpecificityProteomeEcuadorBacillus subtilisPulmonary Surfactant-Associated ProteinsGalectinsAntileukoproteinaseBiologyprotease inhibitor03 medical and health sciencesproteomicsImmune systemfemoral glandsevolutionEndopeptidasesEscherichia coliAnimalsHumanstissuesMolecular Biology030304 developmental biologyGalectinInnate immune systemChemotactic FactorsResearchMyocardiumImmunity Innateimmune systemIguanasMuramidaseApoproteinsTranscriptomeFunction (biology)Molecular & Cellular Proteomics
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