FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3041661806> ?p ?o ?g. }

• W3041661806 endingPage "3288" @default.
• W3041661806 startingPage "3282" @default.
• W3041661806 abstract "Abstract The recently described flavin‐dependent halogenase BrvH is able to catalyse both the bromination and chlorination of indole, but shows significantly higher bromination activity. BrvH was annotated as a tryptophan halogenase, but does not accept tryptophan as a substrate. Its native substrate remains unknown. A predictive model with the data available for BrvH was analysed. A training set of compounds tested in vitro was docked into the active site of a complete protein model based on the X‐ray structure of BrvH. The atoms not resolved experimentally were modelled by using molecular mechanics force fields to obtain this protein model. Furthermore, docking poses for the substrates and known non‐substrates have been calculated. Parameters like distance, partial charge and hybridization state were analysed to derive rules for predicting activity. With this model for activity of the BrvH, a virtual screening suggested several structures for potential substrates. Some of the compounds preselected in this way were tested in vitro , and several could be verified as convertible substrates. Based on information on halogenated natural products, a new dataset was created to specifically search for natural products as substrates/products, and virtual screening in this database yielded further hits." @default.
• W3041661806 created "2020-07-16" @default.
• W3041661806 creator A5024345058 @default.
• W3041661806 creator A5037906811 @default.
• W3041661806 creator A5046331207 @default.
• W3041661806 creator A5049586619 @default.
• W3041661806 creator A5077845134 @default.
• W3041661806 date "2020-08-04" @default.
• W3041661806 modified "2023-10-18" @default.
• W3041661806 title "Predicting the Substrate Scope of the Flavin‐Dependent Halogenase BrvH" @default.
• W3041661806 cites W1906899252 @default.
• W3041661806 cites W1965582238 @default.
• W3041661806 cites W1970840711 @default.
• W3041661806 cites W1972451236 @default.
• W3041661806 cites W1973191530 @default.
• W3041661806 cites W1983194490 @default.
• W3041661806 cites W1997846715 @default.
• W3041661806 cites W2005508511 @default.
• W3041661806 cites W2030598505 @default.
• W3041661806 cites W2041411283 @default.
• W3041661806 cites W2052030759 @default.
• W3041661806 cites W2063097757 @default.
• W3041661806 cites W2078395913 @default.
• W3041661806 cites W2082717449 @default.
• W3041661806 cites W2083999153 @default.
• W3041661806 cites W2103968973 @default.
• W3041661806 cites W2107572169 @default.
• W3041661806 cites W2130479394 @default.
• W3041661806 cites W2130878869 @default.
• W3041661806 cites W2139205312 @default.
• W3041661806 cites W2143861260 @default.
• W3041661806 cites W2151772329 @default.
• W3041661806 cites W2163839853 @default.
• W3041661806 cites W2171513236 @default.
• W3041661806 cites W2312634683 @default.
• W3041661806 cites W2319097868 @default.
• W3041661806 cites W2326489853 @default.
• W3041661806 cites W2327579832 @default.
• W3041661806 cites W2345761168 @default.
• W3041661806 cites W2519175090 @default.
• W3041661806 cites W2520950625 @default.
• W3041661806 cites W2610507331 @default.
• W3041661806 cites W2611252889 @default.
• W3041661806 cites W2770430461 @default.
• W3041661806 cites W2793842821 @default.
• W3041661806 cites W2794819581 @default.
• W3041661806 cites W2800612869 @default.
• W3041661806 cites W2801252784 @default.
• W3041661806 cites W2903851210 @default.
• W3041661806 cites W2907469433 @default.
• W3041661806 cites W2915681602 @default.
• W3041661806 cites W2962143688 @default.
• W3041661806 cites W2976485980 @default.
• W3041661806 cites W2979372408 @default.
• W3041661806 cites W2979824003 @default.
• W3041661806 cites W2981561997 @default.
• W3041661806 cites W2981797791 @default.
• W3041661806 cites W2992356539 @default.
• W3041661806 cites W4247044171 @default.
• W3041661806 doi "https://doi.org/10.1002/cbic.202000444" @default.
• W3041661806 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7754283" @default.
• W3041661806 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32645255" @default.
• W3041661806 hasPublicationYear "2020" @default.
• W3041661806 type Work @default.
• W3041661806 sameAs 3041661806 @default.
• W3041661806 citedByCount "9" @default.
• W3041661806 countsByYear W30416618062020 @default.
• W3041661806 countsByYear W30416618062021 @default.
• W3041661806 countsByYear W30416618062022 @default.
• W3041661806 crossrefType "journal-article" @default.
• W3041661806 hasAuthorship W3041661806A5024345058 @default.
• W3041661806 hasAuthorship W3041661806A5037906811 @default.
• W3041661806 hasAuthorship W3041661806A5046331207 @default.
• W3041661806 hasAuthorship W3041661806A5049586619 @default.
• W3041661806 hasAuthorship W3041661806A5077845134 @default.
• W3041661806 hasBestOaLocation W30416618061 @default.
• W3041661806 hasConcept C103697762 @default.
• W3041661806 hasConcept C147597530 @default.
• W3041661806 hasConcept C159110408 @default.
• W3041661806 hasConcept C178790620 @default.
• W3041661806 hasConcept C181199279 @default.
• W3041661806 hasConcept C185592680 @default.
• W3041661806 hasConcept C18903297 @default.
• W3041661806 hasConcept C192527728 @default.
• W3041661806 hasConcept C21951064 @default.
• W3041661806 hasConcept C2776706248 @default.
• W3041661806 hasConcept C2777289219 @default.
• W3041661806 hasConcept C33093398 @default.
• W3041661806 hasConcept C41183919 @default.
• W3041661806 hasConcept C41685203 @default.
• W3041661806 hasConcept C515207424 @default.
• W3041661806 hasConcept C55493867 @default.
• W3041661806 hasConcept C59593255 @default.
• W3041661806 hasConcept C65973085 @default.
• W3041661806 hasConcept C71240020 @default.
• W3041661806 hasConcept C71924100 @default.
• W3041661806 hasConcept C86803240 @default.
• W3041661806 hasConceptScore W3041661806C103697762 @default.

• next