| The crystal structure of subtilisin Carlsberg in anhydrous dioxane and its comparison with those in water and acetonitrile. | |
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MedLine Citation:
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PMID: 9113975 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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The x-ray crystal structure of the serine protease subtilisin Carlsberg in anhydrous dioxane has been determined to 2.6-A resolution. The enzyme structure is found to be nearly indistinguishable from the structures previously determined in water and acetonitrile. Small changes in the side-chain conformations between the dioxane and water structures are of the same magnitude as those observed between two structures in different aqueous systems. Seven enzyme-bound dioxane molecules have been detected, each potentially forming at least one hydrogen bond with a subtilisin hydrogen-bond donor or bound water. Two of the bound dioxane molecules are in the active-site region, one in the P2 and another bridging the P1' and P3' pockets. The other five dioxane molecules are located on the surface of subtilisin at interprotein crystal contacts. The locations of the bound solvent in the dioxane structure are distinct from those in the structures in acetonitrile and in water. |
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Authors:
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J L Schmitke; L J Stern; A M Klibanov |
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Publication Detail:
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Type: Comparative Study; Journal Article; Research Support, U.S. Gov't, P.H.S. |
Journal Detail:
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Title: Proceedings of the National Academy of Sciences of the United States of America Volume: 94 ISSN: 0027-8424 ISO Abbreviation: Proc. Natl. Acad. Sci. U.S.A. Publication Date: 1997 Apr |
Date Detail:
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Created Date: 1997-05-27 Completed Date: 1997-05-27 Revised Date: 2013-04-16 |
Medline Journal Info:
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Nlm Unique ID: 7505876 Medline TA: Proc Natl Acad Sci U S A Country: UNITED STATES |
Other Details:
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Languages: eng Pagination: 4250-5 Citation Subset: IM |
Affiliation:
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Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Acetonitriles
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chemistry Binding Sites Crystallography, X-Ray Dioxanes / chemistry Models, Molecular Protein Conformation Solvents Subtilisins / chemistry* Water / chemistry |
| Grant Support | |
ID/Acronym/Agency:
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GM39794/GM/NIGMS NIH HHS |
| Chemical | |
Reg. No./Substance:
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0/Acetonitriles; 0/Dioxanes; 0/Solvents; 7732-18-5/Water; EC 3.4.21.-/Subtilisins; J8A3S10O7S/1,4-dioxane; Z072SB282N/acetonitrile |
| Comments/Corrections | |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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