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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
12
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pubmed:dateCreated |
2009-3-25
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pubmed:databankReference |
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pubmed:abstractText |
HIV-1 protease is a dimeric aspartic protease that plays an essential role in viral replication. To further understand the catalytic mechanism and inhibitor recognition of HIV-1 protease, we need to determine the locations of key hydrogen atoms in the catalytic aspartates Asp-25 and Asp-125. The structure of HIV-1 protease in complex with transition-state analog KNI-272 was determined by combined neutron crystallography at 1.9-A resolution and X-ray crystallography at 1.4-A resolution. The resulting structural data show that the catalytic residue Asp-25 is protonated and that Asp-125 (the catalytic residue from the corresponding diad-related molecule) is deprotonated. The proton on Asp-25 makes a hydrogen bond with the carbonyl group of the allophenylnorstatine (Apns) group in KNI-272. The deprotonated Asp-125 bonds to the hydroxyl proton of Apns. The results provide direct experimental evidence for proposed aspects of the catalytic mechanism of HIV-1 protease and can therefore contribute substantially to the development of specific inhibitors for therapeutic application.
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pubmed:commentsCorrections |
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Mar
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pubmed:issn |
1091-6490
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pubmed:author |
pubmed-author:AdachiHiroakiH,
pubmed-author:AdachiMotoyasuM,
pubmed-author:AraiShigekiS,
pubmed-author:HayashiYoshioY,
pubmed-author:HidakaKoushiK,
pubmed-author:HonjoEijiroE,
pubmed-author:KimuraKanameK,
pubmed-author:KimuraTooruT,
pubmed-author:KisoYoshiakiY,
pubmed-author:KuriharaKazuoK,
pubmed-author:KurokiRyotaR,
pubmed-author:MatsumuraHiroyoshiH,
pubmed-author:MoriYusukeY,
pubmed-author:OhharaTakashiT,
pubmed-author:OkazakiNobuoN,
pubmed-author:ShoyamaYoshinariY,
pubmed-author:SugiyamaShigeruS,
pubmed-author:TakanoKazufumiK,
pubmed-author:TamadaTaroT
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pubmed:issnType |
Electronic
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pubmed:day |
24
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pubmed:volume |
106
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
4641-6
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pubmed:dateRevised |
2009-11-18
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pubmed:meshHeading |
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