Literature DB >> 11601963

Follow the protons: a low-barrier hydrogen bond unifies the mechanisms of the aspartic proteases.

D B Northrop1.   

Abstract

Seven proton transfers in five steps participate in a catalytic turnover of an aspartic protease. The Rosetta Stone for elucidating their role is a low-barrier hydrogen bond that holds the two aspartic carboxyls in a coplanar conformation. The proton of this bond shuttles between oxygens during chemical steps via hydrogen tunneling, unlike in previous proposals where it was transferred to substrate. After the release of products, both carboxyls are protonated and the bond is missing. Re-forming the bond is a significant step within a kinetic isomechanism. The bond also explains-at long last-the extremely low pK in pH profiles.

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Year:  2001        PMID: 11601963     DOI: 10.1021/ar000184m

Source DB:  PubMed          Journal:  Acc Chem Res        ISSN: 0001-4842            Impact factor:   22.384


  28 in total

1.  The role of hydrogen bonding in the enzymatic reaction catalyzed by HIV-1 protease.

Authors:  Joanna Trylska; Pawel Grochowski; J Andrew McCammon
Journal:  Protein Sci       Date:  2004-02       Impact factor: 6.725

2.  Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations.

Authors:  Kitiyaporn Wittayanarakul; Ornjira Aruksakunwong; Suwipa Saen-oon; Wasun Chantratita; Vudhichai Parasuk; Pornthep Sompornpisut; Supot Hannongbua
Journal:  Biophys J       Date:  2004-11-12       Impact factor: 4.033

3.  Transition states of native and drug-resistant HIV-1 protease are the same.

Authors:  D Randal Kipp; Jennifer S Hirschi; Aya Wakata; Harris Goldstein; Vern L Schramm
Journal:  Proc Natl Acad Sci U S A       Date:  2012-04-09       Impact factor: 11.205

4.  Studies on the catalytic mechanism of a glutamic peptidase.

Authors:  Márcia Y Kondo; Débora N Okamoto; Jorge A N Santos; Maria A Juliano; Kohei Oda; Bindu Pillai; Michael N G James; Luiz Juliano; Iuri E Gouvea
Journal:  J Biol Chem       Date:  2010-05-04       Impact factor: 5.157

5.  Asymmetry in angular rigidity of hydrogen-bonded complexes.

Authors:  Zhenhong Yu; William Klemperer
Journal:  Proc Natl Acad Sci U S A       Date:  2005-08-22       Impact factor: 11.205

6.  Validating the vitality strategy for fighting drug resistance.

Authors:  Nidhi Singh; Maria P Frushicheva; Arieh Warshel
Journal:  Proteins       Date:  2012-01-31

7.  Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates.

Authors:  Amit Das; Vishal Prashar; Smita Mahale; L Serre; J-L Ferrer; M V Hosur
Journal:  Proc Natl Acad Sci U S A       Date:  2006-11-20       Impact factor: 11.205

8.  Dissection of the stepwise mechanism to beta-lactam formation and elucidation of a rate-determining conformational change in beta-lactam synthetase.

Authors:  Mary L Raber; Michael F Freeman; Craig A Townsend
Journal:  J Biol Chem       Date:  2008-10-27       Impact factor: 5.157

9.  Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.

Authors:  Oksana Gerlits; David A Keen; Matthew P Blakeley; John M Louis; Irene T Weber; Andrey Kovalevsky
Journal:  J Med Chem       Date:  2017-02-28       Impact factor: 7.446

10.  Influence of a heptad repeat stutter on the pH-dependent conformational behavior of the central coiled-coil from influenza hemagglutinin HA2.

Authors:  Chelsea D Higgins; Vladimir N Malashkevich; Steven C Almo; Jonathan R Lai
Journal:  Proteins       Date:  2014-05-06
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