FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2085852844> ?p ?o ?g. }

• W2085852844 endingPage "705" @default.
• W2085852844 startingPage "694" @default.
• W2085852844 abstract "The detailed, quantitative characterization of unfolded proteins is a largely unresolved task due to the enormous experimental and theoretical difficulties in describing the highly dimensional space of their conformational ensembles. Recently, residual dipolar coupling (RDC) and paramagnetic relaxation enhancement (PRE) data have provided large numbers of experimental parameters on unfolded states. To obtain a minimal model of the unfolded state according to such data we have developed new modules for the use of steric alignment RDCs and PREs as constraints in ensemble structure calculations by the program XPLOR-NIH. As an example, ensemble calculations were carried out on urea-denatured ubiquitin using a total of 419 previously obtained RDCs and 253 newly determined PREs from eight cysteine mutants coupled to MTSL. The results show that only a small number of about 10 conformers is necessary to fully reproduce the experimental RDCs, PREs and average radius of gyration. Cα contacts determined on a large set (400) of 10-conformer ensembles show significant (10−20%) populations of conformations that are similar to ubiquitin’s A-state, i.e. corresponding to an intact native first β-hairpin and α-helix as well as non-native α-helical conformations in the C-terminal half. Thus, methanol/acid (A-state) and urea denaturation lead to similar low energy states of the protein ensemble, presumably due to the weakening of the hydrophobic core. Similar contacts are obtained in calculations using solely RDCs or PREs. The sampling statistics of the Cα contacts in the ensembles follow a simple binomial distribution. It follows that the present RDC, PRE, and computational methods allow the statistically significant detection of subconformations in the unfolded ensemble at population levels of a few percent." @default.
• W2085852844 created "2016-06-24" @default.
• W2085852844 creator A5079674718 @default.
• W2085852844 creator A5086718813 @default.
• W2085852844 date "2009-12-15" @default.
• W2085852844 modified "2023-10-15" @default.
• W2085852844 title "Ensemble Calculations of Unstructured Proteins Constrained by RDC and PRE Data: A Case Study of Urea-Denatured Ubiquitin" @default.
• W2085852844 cites W1517145530 @default.
• W2085852844 cites W1557183584 @default.
• W2085852844 cites W1560586614 @default.
• W2085852844 cites W1563431405 @default.
• W2085852844 cites W1680110353 @default.
• W2085852844 cites W1963926144 @default.
• W2085852844 cites W1968919643 @default.
• W2085852844 cites W1971847312 @default.
• W2085852844 cites W1973897761 @default.
• W2085852844 cites W1975311020 @default.
• W2085852844 cites W1976470237 @default.
• W2085852844 cites W1979287293 @default.
• W2085852844 cites W1982383324 @default.
• W2085852844 cites W1985716931 @default.
• W2085852844 cites W1989847819 @default.
• W2085852844 cites W1991053931 @default.
• W2085852844 cites W1992022732 @default.
• W2085852844 cites W1996113584 @default.
• W2085852844 cites W1996222219 @default.
• W2085852844 cites W1998177378 @default.
• W2085852844 cites W2006199861 @default.
• W2085852844 cites W2007829343 @default.
• W2085852844 cites W2021006927 @default.
• W2085852844 cites W2021567275 @default.
• W2085852844 cites W2022175833 @default.
• W2085852844 cites W2026247887 @default.
• W2085852844 cites W2026729332 @default.
• W2085852844 cites W2026946969 @default.
• W2085852844 cites W2031091369 @default.
• W2085852844 cites W2032911291 @default.
• W2085852844 cites W2033782813 @default.
• W2085852844 cites W2044730187 @default.
• W2085852844 cites W2048072382 @default.
• W2085852844 cites W2052660967 @default.
• W2085852844 cites W2053001555 @default.
• W2085852844 cites W2058238447 @default.
• W2085852844 cites W2062557777 @default.
• W2085852844 cites W2063810968 @default.
• W2085852844 cites W2066041565 @default.
• W2085852844 cites W2067798279 @default.
• W2085852844 cites W2074586183 @default.
• W2085852844 cites W2076662394 @default.
• W2085852844 cites W2077116876 @default.
• W2085852844 cites W2078984957 @default.
• W2085852844 cites W2085697834 @default.
• W2085852844 cites W2086862822 @default.
• W2085852844 cites W2087729059 @default.
• W2085852844 cites W2087937447 @default.
• W2085852844 cites W2089435862 @default.
• W2085852844 cites W2090189932 @default.
• W2085852844 cites W2091562436 @default.
• W2085852844 cites W2095256420 @default.
• W2085852844 cites W2097891553 @default.
• W2085852844 cites W2106378421 @default.
• W2085852844 cites W2110036405 @default.
• W2085852844 cites W2127512377 @default.
• W2085852844 cites W2131633716 @default.
• W2085852844 cites W2132163861 @default.
• W2085852844 cites W2136219546 @default.
• W2085852844 cites W2147979587 @default.
• W2085852844 cites W2157580603 @default.
• W2085852844 cites W2161912844 @default.
• W2085852844 cites W2169821755 @default.
• W2085852844 cites W2170671445 @default.
• W2085852844 cites W4243546559 @default.
• W2085852844 doi "https://doi.org/10.1021/ja907974m" @default.
• W2085852844 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20000836" @default.
• W2085852844 hasPublicationYear "2009" @default.
• W2085852844 type Work @default.
• W2085852844 sameAs 2085852844 @default.
• W2085852844 citedByCount "107" @default.
• W2085852844 countsByYear W20858528442012 @default.
• W2085852844 countsByYear W20858528442013 @default.
• W2085852844 countsByYear W20858528442014 @default.
• W2085852844 countsByYear W20858528442015 @default.
• W2085852844 countsByYear W20858528442016 @default.
• W2085852844 countsByYear W20858528442017 @default.
• W2085852844 countsByYear W20858528442018 @default.
• W2085852844 countsByYear W20858528442019 @default.
• W2085852844 countsByYear W20858528442020 @default.
• W2085852844 countsByYear W20858528442021 @default.
• W2085852844 countsByYear W20858528442022 @default.
• W2085852844 countsByYear W20858528442023 @default.
• W2085852844 crossrefType "journal-article" @default.
• W2085852844 hasAuthorship W2085852844A5079674718 @default.
• W2085852844 hasAuthorship W2085852844A5086718813 @default.
• W2085852844 hasConcept C147597530 @default.
• W2085852844 hasConcept C150769733 @default.
• W2085852844 hasConcept C168568712 @default.
• W2085852844 hasConcept C173523689 @default.
• W2085852844 hasConcept C178790620 @default.

• next