1khq: Difference between revisions
New page: left|200px<br /><applet load="1khq" size="450" color="white" frame="true" align="right" spinBox="true" caption="1khq, resolution 1.6Å" /> '''ORTHORHOMBIC FORM OF ... |
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[[Image:1khq.gif|left|200px]]<br /><applet load="1khq" size=" | [[Image:1khq.gif|left|200px]]<br /><applet load="1khq" size="350" color="white" frame="true" align="right" spinBox="true" | ||
caption="1khq, resolution 1.6Å" /> | caption="1khq, resolution 1.6Å" /> | ||
'''ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX'''<br /> | '''ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX'''<br /> | ||
==Overview== | ==Overview== | ||
The three-dimensional structure of two polymorphs of a ZLFG-CH2-papain | The three-dimensional structure of two polymorphs of a ZLFG-CH2-papain covalent complex has been determined by X-ray crystallography. The structures indicate that: (i) the methylene carbon atom of the inhibitor is covalently bound to the Sgamma atom of Cys25 of papain; (ii) the hydrophobic S2 pocket formed by Pro68, Val133, Val157, and Asp158 is occupied by the inhibitor's phenylalanyl P2 side chain; (iii) extensive hydrogen bonding and hydrophobic interactions are responsible for the interaction of the inhibitor with the enzyme. Comparison with similar structures suggests that in covalent complexes preservation of main chain-main chain interactions between the enzyme and the inhibitor may have higher priority than the P-S interactions. | ||
==About this Structure== | ==About this Structure== | ||
1KHQ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Carica_papaya Carica papaya]. Active as [http://en.wikipedia.org/wiki/Papain Papain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.2 3.4.22.2] Full crystallographic information is available from [http:// | 1KHQ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Carica_papaya Carica papaya]. Active as [http://en.wikipedia.org/wiki/Papain Papain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.2 3.4.22.2] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KHQ OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: protease inhibitor]] | [[Category: protease inhibitor]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:34:18 2008'' | ||
Revision as of 11:34, 21 February 2008
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ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX
Overview
The three-dimensional structure of two polymorphs of a ZLFG-CH2-papain covalent complex has been determined by X-ray crystallography. The structures indicate that: (i) the methylene carbon atom of the inhibitor is covalently bound to the Sgamma atom of Cys25 of papain; (ii) the hydrophobic S2 pocket formed by Pro68, Val133, Val157, and Asp158 is occupied by the inhibitor's phenylalanyl P2 side chain; (iii) extensive hydrogen bonding and hydrophobic interactions are responsible for the interaction of the inhibitor with the enzyme. Comparison with similar structures suggests that in covalent complexes preservation of main chain-main chain interactions between the enzyme and the inhibitor may have higher priority than the P-S interactions.
About this Structure
1KHQ is a Single protein structure of sequence from Carica papaya. Active as Papain, with EC number 3.4.22.2 Full crystallographic information is available from OCA.
Reference
Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor., Janowski R, Kozak M, Jankowska E, Grzonka Z, Jaskolski M, J Pept Res. 2004 Oct;64(4):141-50. PMID:15357669
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