2pyk

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{{STRUCTURE_2pyk| PDB=2pyk | SCENE= }}
{{STRUCTURE_2pyk| PDB=2pyk | SCENE= }}
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'''Crystal structure of Staphylococcal nuclease variant V66Q/P117G/H124L/S128A at room temperature'''
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===Crystal structure of Staphylococcal nuclease variant V66Q/P117G/H124L/S128A at room temperature===
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==Overview==
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Although internal water molecules are essential for the structure and function of many proteins, the structural and physical factors that govern internal hydration are poorly understood. We have examined the molecular determinants of internal hydration systematically, by solving the crystal structures of variants of staphylococcal nuclease with Gln-66, Asn-66, and Tyr-66 at cryo (100 K) and room (298 K) temperatures, and comparing them with existing cryo and room temperature structures of variants with Glu-66, Asp-66, Lys-66, Glu-92 or Lys-92 obtained under conditions of pH where the internal ionizable groups are in the neutral state. At cryogenic temperatures the polar moieties of all these internal side chains are hydrated except in the cases of Lys-66 and Lys-92. At room temperature the internal water molecules were observed only in variants with Glu-66 and Tyr-66; water molecules in the other variants are probably present but they are disordered and therefore undetectable crystallographically. Each internal water molecule establishes between 3 and 5 hydrogen bonds with the protein or with other internal water molecules. The strength of interactions between internal polar side chains and water molecules seems to decrease from carboxylic acids to amides to amines. Low temperature, low cavity volume, and the presence of oxygen atoms in the cavity increase the positional stability of internal water molecules. This set of structures and the physical insight they contribute into internal hydration will be useful for the development and benchmarking of computational methods for artificial hydration of pockets, cavities, and active sites in proteins.
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(as it appears on PubMed at http://www.pubmed.gov), where 18178652 is the PubMed ID number.
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==About this Structure==
==About this Structure==
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[[Category: Nuclease]]
[[Category: Nuclease]]
[[Category: Staphylococcal nuclease]]
[[Category: Staphylococcal nuclease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 21:38:04 2008''

Revision as of 18:38, 28 July 2008

Template:STRUCTURE 2pyk

Crystal structure of Staphylococcal nuclease variant V66Q/P117G/H124L/S128A at room temperature

Template:ABSTRACT PUBMED 18178652

About this Structure

2PYK is a Single protein structure of sequence from Staphylococcus aureus. Full crystallographic information is available from OCA.

Reference

Crystallographic study of hydration of an internal cavity in engineered proteins with buried polar or ionizable groups., Schlessman JL, Abe C, Gittis A, Karp DA, Dolan MA, Garcia-Moreno E B, Biophys J. 2008 Apr 15;94(8):3208-16. Epub 2008 Jan 4. PMID:18178652

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