4UZI

Crystal Structure of AauDyP Complexed with Imidazole

Summary for 4UZI

• Entry DOI: 10.2210/pdb4uzi/pdb
• Descriptor: DYE-DECOLORIZING PEROXIDASE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... (15 entities in total)
• Functional Keywords: oxidoreductase, peroxidase, dyp-type peroxidase, heme, glycoprotein
• Biological source: AURICULARIA AURICULA-JUDAE (EAR FUNGUS)
• Total number of polymer chains: 2
• Total formula weight: 99083.37

Authors

Strittmatter, E.,Liers, C.,Ullrich, R.,Hofrichter, M.,Piontek, K.,Plattner, D.A. (deposition date: 2014-09-05, release date: 2015-01-14, Last modification date: 2024-01-10)

Primary citation

Strittmatter, E.,Serrer, K.,Liers, C.,Ullrich, R.,Hofrichter, M.,Piontek, K.,Schleicher, E.,Plattner, D.A.
The Toolbox of Auricularia Auricula-Judae Dye-Decolorizing Peroxidase - Identification of Three New Potential Substrate-Interaction Sites.
Arch.Biochem.Biophys., 574:75-, 2015

PubMed Abstract: Dye-decolorizing peroxidases (DyPs) such as AauDyPI from the fungus Auricularia auricula-judae are able to oxidize substrates of different kinds and sizes. A crystal structure of an AauDyPI-imidazole complex gives insight into the binding patterns of organic molecules within the heme cavity of a DyP. Several small N-containing heterocyclic aromatics are shown to bind in the AauDyPI heme cavity, hinting to susceptibility of DyPs to azole-based inhibitors similar to cytochromes P450. Imidazole is confirmed as a competitive inhibitor with regard to peroxide binding. In contrast, bulky substrates such as anthraquinone dyes are converted at the enzyme surface. In the crystal structure a substrate analog, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), binds to a tyrosine-rich hollow harboring Y25, Y147, and Y337. Spin trapping with a nitric oxide donor uncovers Y229 as an additional tyrosine-based radical center in AauDyPI. Multi-frequency EPR spectroscopy further reveals the presence of at least one intermediate tryptophanyl radical center in activated AauDyPI with W377 as the most likely candidate.

PubMed: 25542606
DOI: 10.1016/J.ABB.2014.12.016

Experimental method

X-RAY DIFFRACTION (2.1 Å)