Matches in SemOpenAlex for { <https://semopenalex.org/work/W3035785552> ?p ?o ?g. }
- W3035785552 abstract "Abstract Corona virus spike protein S is a large homo-trimeric protein embedded in the membrane of the virion particle. Protein S binds to angiotensin-converting-enzyme 2, ACE2, of the host cell, followed by proteolysis of the spike protein, drastic protein conformational change with exposure of the fusion peptide of the virus, and entry of the virion into the host cell. The structural elements that govern conformational plasticity of the spike protein are largely unknown. Here, we present a methodology that relies upon graph and centrality analyses, augmented by bioinformatics, to identify and characterize large H-bond clusters in protein structures. We apply this methodology to protein S ectodomain and find that, in the closed conformation, the three protomers of protein S bring the same contribution to an extensive central network of H-bonds, has a relatively large H-bond cluster at the receptor binding domain, and a cluster near a protease cleavage site. Markedly different H-bonding at these three clusters in open and pre-fusion conformations suggest dynamic H-bond clusters could facilitate structural plasticity and selection of a protein S protomer for binding to the host receptor, and proteolytic cleavage. From analyses of spike protein sequences we identify patches of histidine and carboxylate groups that could be involved in transient proton binding." @default.
- W3035785552 created "2020-06-25" @default.
- W3035785552 creator A5023758361 @default.
- W3035785552 creator A5032836048 @default.
- W3035785552 creator A5037940023 @default.
- W3035785552 creator A5043039841 @default.
- W3035785552 creator A5046769229 @default.
- W3035785552 creator A5053677252 @default.
- W3035785552 creator A5062144873 @default.
- W3035785552 creator A5077743142 @default.
- W3035785552 date "2020-06-23" @default.
- W3035785552 modified "2023-10-16" @default.
- W3035785552 title "A graph-based approach identifies dynamic H-bond communication networks in spike protein S of SARS-CoV-2" @default.
- W3035785552 cites W1576188308 @default.
- W3035785552 cites W1965531501 @default.
- W3035785552 cites W1966238900 @default.
- W3035785552 cites W1971937094 @default.
- W3035785552 cites W1984494056 @default.
- W3035785552 cites W1994915168 @default.
- W3035785552 cites W1995545657 @default.
- W3035785552 cites W1996423252 @default.
- W3035785552 cites W2001788362 @default.
- W3035785552 cites W2004555581 @default.
- W3035785552 cites W2006286994 @default.
- W3035785552 cites W2010531115 @default.
- W3035785552 cites W2012106669 @default.
- W3035785552 cites W2019945910 @default.
- W3035785552 cites W2022777594 @default.
- W3035785552 cites W2025200316 @default.
- W3035785552 cites W2025672718 @default.
- W3035785552 cites W2027408247 @default.
- W3035785552 cites W2029582401 @default.
- W3035785552 cites W2029667189 @default.
- W3035785552 cites W2037650802 @default.
- W3035785552 cites W2038918691 @default.
- W3035785552 cites W2039663472 @default.
- W3035785552 cites W2041256732 @default.
- W3035785552 cites W2042291415 @default.
- W3035785552 cites W2047399603 @default.
- W3035785552 cites W2051738649 @default.
- W3035785552 cites W2055864228 @default.
- W3035785552 cites W2056944867 @default.
- W3035785552 cites W2060204625 @default.
- W3035785552 cites W2069587384 @default.
- W3035785552 cites W2081598467 @default.
- W3035785552 cites W2083755780 @default.
- W3035785552 cites W2085887280 @default.
- W3035785552 cites W2087420232 @default.
- W3035785552 cites W2092441129 @default.
- W3035785552 cites W2095079788 @default.
- W3035785552 cites W2098037373 @default.
- W3035785552 cites W2098870916 @default.
- W3035785552 cites W2104549677 @default.
- W3035785552 cites W2105149323 @default.
- W3035785552 cites W2114520383 @default.
- W3035785552 cites W2119362018 @default.
- W3035785552 cites W2122462550 @default.
- W3035785552 cites W2124198028 @default.
- W3035785552 cites W2130479394 @default.
- W3035785552 cites W2130687910 @default.
- W3035785552 cites W2131184765 @default.
- W3035785552 cites W2140603934 @default.
- W3035785552 cites W2143312620 @default.
- W3035785552 cites W2146476111 @default.
- W3035785552 cites W2152329221 @default.
- W3035785552 cites W2152528032 @default.
- W3035785552 cites W2158714788 @default.
- W3035785552 cites W2158785087 @default.
- W3035785552 cites W2160378127 @default.
- W3035785552 cites W2162166182 @default.
- W3035785552 cites W2162250867 @default.
- W3035785552 cites W2167384912 @default.
- W3035785552 cites W2167523852 @default.
- W3035785552 cites W2168974130 @default.
- W3035785552 cites W2171707538 @default.
- W3035785552 cites W2206954826 @default.
- W3035785552 cites W2271364844 @default.
- W3035785552 cites W2395574273 @default.
- W3035785552 cites W2559258718 @default.
- W3035785552 cites W2595566764 @default.
- W3035785552 cites W2660675868 @default.
- W3035785552 cites W2762161295 @default.
- W3035785552 cites W2766494877 @default.
- W3035785552 cites W2777577494 @default.
- W3035785552 cites W2792791856 @default.
- W3035785552 cites W2892090532 @default.
- W3035785552 cites W2912800843 @default.
- W3035785552 cites W2941710462 @default.
- W3035785552 cites W2943539475 @default.
- W3035785552 cites W2982106362 @default.
- W3035785552 cites W2986629132 @default.
- W3035785552 cites W2999590918 @default.
- W3035785552 cites W3004280078 @default.
- W3035785552 cites W3007643904 @default.
- W3035785552 cites W3008193851 @default.
- W3035785552 cites W3010441732 @default.
- W3035785552 cites W3010923525 @default.
- W3035785552 cites W3011127849 @default.
- W3035785552 cites W3011701533 @default.
- W3035785552 cites W3027231799 @default.