1x8v

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{{STRUCTURE_1x8v| PDB=1x8v | SCENE= }}
{{STRUCTURE_1x8v| PDB=1x8v | SCENE= }}
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'''Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51)'''
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===Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51)===
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==Overview==
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Sterol 14alpha-demethylases (CYP51) are essential enzymes in sterol biosynthesis in eukaryotes and drug targets in antifungal therapy. Here, we report CYP51 structures in ligand-free and estriol bound forms. Using estriol as a probe, we determined orientation of the substrate in the active site, elucidated protein contacts with the invariant 3beta-hydroxy group of a sterol, and identified F78 as a key discriminator between 4alpha-methylated and 4alpha,beta-dimethylated substrates. Analysis of CYP51 dynamics revealed that the C helix undergoes helix-coil transition upon binding and dissociation of a ligand. Loss of helical structure of the C helix in the ligand-free form results in an unprecedented opening of the substrate binding site. Upon binding of estriol, the BC loop loses contacts with molecular surface and tends to adopt a closed conformation. A mechanism for azole resistance in the yeast pathogen Candida albicans associated with mutations in the ERG11 gene encoding CYP51 is suggested based on CYP51 protein dynamics.
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==About this Structure==
==About this Structure==
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[[Category: Heme co-factor]]
[[Category: Heme co-factor]]
[[Category: Protein-estriol complex]]
[[Category: Protein-estriol complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 14:42:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 18:06:11 2008''

Revision as of 15:06, 27 July 2008

Image:1x8v.png

Template:STRUCTURE 1x8v

Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51)

Template:ABSTRACT PUBMED 15530358

About this Structure

1X8V is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

Reference

Estriol bound and ligand-free structures of sterol 14alpha-demethylase., Podust LM, Yermalitskaya LV, Lepesheva GI, Podust VN, Dalmasso EA, Waterman MR, Structure. 2004 Nov;12(11):1937-45. PMID:15530358

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