FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2069456692> ?p ?o ?g. }

• W2069456692 endingPage "642" @default.
• W2069456692 startingPage "630" @default.
• W2069456692 abstract "Abstract To identify potential determinants of substrate selectivity in serotonin (5‐HT) transporters (SERT), models of human and Drosophila serotonin transporters (hSERT, dSERT) were built based on the leucine transporter (LeuT Aa ) structure reported by Yamashita et al . (Nature 2005;437:215–223), PBDID 2A65. Although the overall amino acid identity between SERTs and the LeuT Aa is only 17%, it increases to above 50% in the first shell of the putative 5‐HT binding site, allowing de novo computational docking of tryptamine derivatives in atomic detail. Comparison of hSERT and dSERT complexed with substrates pinpoints likely structural determinants for substrate binding. Forgoing the use of experimental transport and binding data of tryptamine derivatives for construction of these models enables us to critically assess and validate their predictive power: A single 5‐HT binding mode was identified that retains the amine placement observed in the LeuT Aa structure, matches site‐directed mutagenesis and substituted cysteine accessibility method (SCAM) data, complies with support vector machine derived relations activity relations, and predicts computational binding energies for 5‐HT analogs with a significant correlation coefficient ( R = 0.72). This binding mode places 5‐HT deep in the binding pocket of the SERT with the 5‐position near residue hSERT A169/dSERT D164 in transmembrane helix 3, the indole nitrogen next to residue Y176/Y171, and the ethylamine tail under residues F335/F327 and S336/S328 within 4 Å of residue D98. Our studies identify a number of potential contacts whose contribution to substrate binding and transport was previously unsuspected. Proteins 2009. © 2008 Wiley‐Liss, Inc." @default.
• W2069456692 created "2016-06-24" @default.
• W2069456692 creator A5009438871 @default.
• W2069456692 creator A5011553712 @default.
• W2069456692 creator A5015034189 @default.
• W2069456692 creator A5022425643 @default.
• W2069456692 creator A5046955385 @default.
• W2069456692 creator A5057198428 @default.
• W2069456692 date "2008-08-14" @default.
• W2069456692 modified "2023-10-17" @default.
• W2069456692 title "Structural determinants of species‐selective substrate recognition in human and <i>Drosophila</i> serotonin transporters revealed through computational docking studies" @default.
• W2069456692 cites W1506737211 @default.
• W2069456692 cites W1508885706 @default.
• W2069456692 cites W1968543088 @default.
• W2069456692 cites W1969269597 @default.
• W2069456692 cites W1969644422 @default.
• W2069456692 cites W1970870670 @default.
• W2069456692 cites W1972500547 @default.
• W2069456692 cites W1972632823 @default.
• W2069456692 cites W1976161355 @default.
• W2069456692 cites W1997677707 @default.
• W2069456692 cites W1999108741 @default.
• W2069456692 cites W1999245684 @default.
• W2069456692 cites W2000904449 @default.
• W2069456692 cites W2015379298 @default.
• W2069456692 cites W2020727025 @default.
• W2069456692 cites W2021521177 @default.
• W2069456692 cites W2030825942 @default.
• W2069456692 cites W2042285022 @default.
• W2069456692 cites W2046953299 @default.
• W2069456692 cites W2051918534 @default.
• W2069456692 cites W2067484689 @default.
• W2069456692 cites W2079507733 @default.
• W2069456692 cites W2087277719 @default.
• W2069456692 cites W2087512675 @default.
• W2069456692 cites W2093615982 @default.
• W2069456692 cites W2098971704 @default.
• W2069456692 cites W2101109168 @default.
• W2069456692 cites W2103994532 @default.
• W2069456692 cites W2104622728 @default.
• W2069456692 cites W2119533072 @default.
• W2069456692 cites W2120496470 @default.
• W2069456692 cites W2122565898 @default.
• W2069456692 cites W2124518597 @default.
• W2069456692 cites W2131288855 @default.
• W2069456692 cites W2138117456 @default.
• W2069456692 cites W2142192893 @default.
• W2069456692 cites W2150192011 @default.
• W2069456692 cites W2158307923 @default.
• W2069456692 cites W2165174899 @default.
• W2069456692 cites W2168107543 @default.
• W2069456692 cites W2170471837 @default.
• W2069456692 cites W2416986024 @default.
• W2069456692 cites W2128342209 @default.
• W2069456692 doi "https://doi.org/10.1002/prot.22178" @default.
• W2069456692 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2782712" @default.
• W2069456692 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18704946" @default.
• W2069456692 hasPublicationYear "2008" @default.
• W2069456692 type Work @default.
• W2069456692 sameAs 2069456692 @default.
• W2069456692 citedByCount "56" @default.
• W2069456692 countsByYear W20694566922012 @default.
• W2069456692 countsByYear W20694566922013 @default.
• W2069456692 countsByYear W20694566922014 @default.
• W2069456692 countsByYear W20694566922016 @default.
• W2069456692 countsByYear W20694566922017 @default.
• W2069456692 countsByYear W20694566922019 @default.
• W2069456692 countsByYear W20694566922020 @default.
• W2069456692 countsByYear W20694566922021 @default.
• W2069456692 countsByYear W20694566922022 @default.
• W2069456692 countsByYear W20694566922023 @default.
• W2069456692 crossrefType "journal-article" @default.
• W2069456692 hasAuthorship W2069456692A5009438871 @default.
• W2069456692 hasAuthorship W2069456692A5011553712 @default.
• W2069456692 hasAuthorship W2069456692A5015034189 @default.
• W2069456692 hasAuthorship W2069456692A5022425643 @default.
• W2069456692 hasAuthorship W2069456692A5046955385 @default.
• W2069456692 hasAuthorship W2069456692A5057198428 @default.
• W2069456692 hasBestOaLocation W20694566922 @default.
• W2069456692 hasConcept C104317684 @default.
• W2069456692 hasConcept C107824862 @default.
• W2069456692 hasConcept C118892022 @default.
• W2069456692 hasConcept C149011108 @default.
• W2069456692 hasConcept C159110408 @default.
• W2069456692 hasConcept C169627665 @default.
• W2069456692 hasConcept C170493617 @default.
• W2069456692 hasConcept C181199279 @default.
• W2069456692 hasConcept C185592680 @default.
• W2069456692 hasConcept C2775864247 @default.
• W2069456692 hasConcept C2777135210 @default.
• W2069456692 hasConcept C2778897192 @default.
• W2069456692 hasConcept C2781313199 @default.
• W2069456692 hasConcept C41685203 @default.
• W2069456692 hasConcept C515207424 @default.
• W2069456692 hasConcept C55493867 @default.
• W2069456692 hasConcept C71240020 @default.
• W2069456692 hasConcept C71924100 @default.
• W2069456692 hasConceptScore W2069456692C104317684 @default.

• next