View source for 1aen

[[Image:1aen.gif|left|200px]]<br />
<applet load="1aen" size="450" color="white" frame="true" align="right" spinBox="true" 
caption="1aen, resolution 2.1&Aring;" />
'''SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-5-METHYLTHIAZOLE)'''<br />

==Overview==
Cavity complementation has been observed in many proteins, where an, appropriate small molecule binds to a cavity-forming mutant. Here, the, binding of compounds to the W191G cavity mutant of cytochrome c peroxidase, is characterized by X-ray crystallography and binding thermodynamics., Unlike cavities created by removal of hydrophobic side-chains, the W191G, cavity does not bind neutral or hydrophobic compounds, but displays a, strong specificity for heterocyclic cations, consistent with the role of, the protein to stabilize a tryptophan radical at this site. Ligand, dissociation constants for the protonated cationic state ranged from 6, microM for 2-amino-5-methylthiazole to 1 mM for neutral ligands, and, binding was associated with a large enthalpy-entropy compensation. X-ray, ... [[http://ispc.weizmann.ac.il/pmbin/getpm?11812152 (full description)]]

==About this Structure==
1AEN is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]] with HEM and 25T as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Cytochrome-c_peroxidase Cytochrome-c peroxidase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.5 1.11.1.5]]. Structure known Active Site: AVE. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1AEN OCA]]. 

==Reference==
Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein., Musah RA, Jensen GM, Bunte SW, Rosenfeld RJ, Goodin DB, J Mol Biol. 2002 Jan 25;315(4):845-57. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11812152 11812152]
[[Category: Cytochrome-c peroxidase]]
[[Category: Saccharomyces cerevisiae]]
[[Category: Single protein]]
[[Category: Bunte, S.W.]]
[[Category: Goodin, D.B.]]
[[Category: Jensen, G.M.]]
[[Category: Mcree, D.E.]]
[[Category: Musah, R.A.]]
[[Category: Rosenfeld, R.]]
[[Category: 25T]]
[[Category: HEM]]
[[Category: oxidoreductase]]
[[Category: peroxidase]]
[[Category: transit peptide]]

''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 14:47:25 2007''