FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2169975081> ?p ?o ?g. }

• W2169975081 endingPage "593" @default.
• W2169975081 startingPage "582" @default.
• W2169975081 abstract "Abstract The entry of HIV‐1 into a target cell requires gp120 and receptor CD4 as well as coreceptor CCR5/CXCR4 recognition events associated with conformational changes of the involved proteins. The binding of CD4 to gp120 is the initiation step of the whole process involving structural rearrangements that are crucial for subsequent pathways. Despite the wealth of knowledge about the gp120/CD4 interactions, details of the conformational changes occurring at this stage remain elusive. We have performed molecular dynamics simulations in explicit solvent based on the gp120/CD4/CD4i crystal structure in conjunction with modeled V3 and V4 loops to gain insight into the dynamics of the binding process. Three differentiated interaction modes between CD4 and gp120 were found, which involve electrostatics, hydrogen bond and van der Waals networks. A “binding funnel” model is proposed based on the dynamical nature of the binding interface together with a CD4‐attraction gradient centered in gp120 at the CD4‐Phe43‐binding cavity. Distinct dynamical behaviors of free and CD4‐bound gp120 were monitored, which likely represent the ground and pre‐fusogenic states, respectively. The transition between these states revealed concerted motions in gp120 leading to: i) loop contractions around the CD4‐Phe43‐insertion cavity; ii) stabilization of the four‐stranded “bridging sheet” structure; and iii) translocation and clustering of the V3 loop and the bridging sheet leading to the formation of the coreceptor binding site. Our results provide new insight into the dynamic of the underlying molecular recognition mechanism that complements the biochemical and structural studies. Proteins 2004. © 2004 Wiley‐Liss, Inc." @default.
• W2169975081 created "2016-06-24" @default.
• W2169975081 creator A5023145125 @default.
• W2169975081 creator A5064072429 @default.
• W2169975081 date "2004-04-14" @default.
• W2169975081 modified "2023-10-14" @default.
• W2169975081 title "Atomic insight into the CD4 binding-induced conformational changes in HIV-1 gp120" @default.
• W2169975081 cites W1491824558 @default.
• W2169975081 cites W1499340096 @default.
• W2169975081 cites W1521874564 @default.
• W2169975081 cites W1576634738 @default.
• W2169975081 cites W1628484047 @default.
• W2169975081 cites W1670942947 @default.
• W2169975081 cites W1842798465 @default.
• W2169975081 cites W1894273024 @default.
• W2169975081 cites W1971777539 @default.
• W2169975081 cites W1990407513 @default.
• W2169975081 cites W1995355944 @default.
• W2169975081 cites W1996024886 @default.
• W2169975081 cites W1997989849 @default.
• W2169975081 cites W1999526713 @default.
• W2169975081 cites W2002195659 @default.
• W2169975081 cites W2010521915 @default.
• W2169975081 cites W2011206581 @default.
• W2169975081 cites W2014333265 @default.
• W2169975081 cites W2015642465 @default.
• W2169975081 cites W2017551575 @default.
• W2169975081 cites W2024734109 @default.
• W2169975081 cites W2025761825 @default.
• W2169975081 cites W2027154929 @default.
• W2169975081 cites W2027720097 @default.
• W2169975081 cites W2027738518 @default.
• W2169975081 cites W2028231353 @default.
• W2169975081 cites W2035266068 @default.
• W2169975081 cites W2040239455 @default.
• W2169975081 cites W2067694850 @default.
• W2169975081 cites W2070146818 @default.
• W2169975081 cites W2076584494 @default.
• W2169975081 cites W2080528351 @default.
• W2169975081 cites W2081291921 @default.
• W2169975081 cites W2096387523 @default.
• W2169975081 cites W2098781795 @default.
• W2169975081 cites W2101961263 @default.
• W2169975081 cites W2102614664 @default.
• W2169975081 cites W2106315897 @default.
• W2169975081 cites W2108663264 @default.
• W2169975081 cites W2113030357 @default.
• W2169975081 cites W2116715603 @default.
• W2169975081 cites W2117798874 @default.
• W2169975081 cites W2121117011 @default.
• W2169975081 cites W2123768693 @default.
• W2169975081 cites W2128572087 @default.
• W2169975081 cites W2128824543 @default.
• W2169975081 cites W2131692078 @default.
• W2169975081 cites W2131903471 @default.
• W2169975081 cites W2131906141 @default.
• W2169975081 cites W2132589721 @default.
• W2169975081 cites W2132870230 @default.
• W2169975081 cites W2137966586 @default.
• W2169975081 cites W2143312620 @default.
• W2169975081 cites W2145462968 @default.
• W2169975081 cites W2147009832 @default.
• W2169975081 cites W2147169218 @default.
• W2169975081 cites W2163430576 @default.
• W2169975081 cites W2167279962 @default.
• W2169975081 doi "https://doi.org/10.1002/prot.20061" @default.
• W2169975081 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15103622" @default.
• W2169975081 hasPublicationYear "2004" @default.
• W2169975081 type Work @default.
• W2169975081 sameAs 2169975081 @default.
• W2169975081 citedByCount "39" @default.
• W2169975081 countsByYear W21699750812012 @default.
• W2169975081 countsByYear W21699750812013 @default.
• W2169975081 countsByYear W21699750812014 @default.
• W2169975081 countsByYear W21699750812015 @default.
• W2169975081 countsByYear W21699750812018 @default.
• W2169975081 crossrefType "journal-article" @default.
• W2169975081 hasAuthorship W2169975081A5023145125 @default.
• W2169975081 hasAuthorship W2169975081A5064072429 @default.
• W2169975081 hasBestOaLocation W21699750812 @default.
• W2169975081 hasConcept C107824862 @default.
• W2169975081 hasConcept C112887158 @default.
• W2169975081 hasConcept C121332964 @default.
• W2169975081 hasConcept C12554922 @default.
• W2169975081 hasConcept C126061179 @default.
• W2169975081 hasConcept C147597530 @default.
• W2169975081 hasConcept C178790620 @default.
• W2169975081 hasConcept C185592680 @default.
• W2169975081 hasConcept C2777339483 @default.
• W2169975081 hasConcept C32909587 @default.
• W2169975081 hasConcept C47701112 @default.
• W2169975081 hasConcept C51639874 @default.
• W2169975081 hasConcept C55493867 @default.
• W2169975081 hasConcept C59593255 @default.
• W2169975081 hasConcept C62520636 @default.
• W2169975081 hasConcept C71240020 @default.
• W2169975081 hasConcept C8010536 @default.
• W2169975081 hasConcept C86803240 @default.

• next