4UIR

Structure of oleate hydratase from Elizabethkingia meningoseptica

Summary for 4UIR

• Entry DOI: 10.2210/pdb4uir/pdb
• Related: 4UIC 4UID 4UIE
• Descriptor: OLEATE HYDRATASE, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ... (6 entities in total)
• Functional Keywords: lyase
• Biological source: ELIZABETHKINGIA MENINGOSEPTICA
• Total number of polymer chains: 2
• Total formula weight: 148357.57

Authors

Pavkov-Keller, T.,Hromic, A.,Engleder, M.,Emmerstorfer, A.,Steinkellner, G.,Schrempf, S.,Wriessnegger, T.,Leitner, E.,Strohmeier, G.A.,Kaluzna, I.,Mink, D.,Schuermann, M.,Wallner, S.,Macheroux, P.,Pichler, H.,Gruber, K. (deposition date: 2015-04-02, release date: 2015-07-01, Last modification date: 2024-01-10)

Primary citation

Engleder, M.,Pavkov-Keller, T.,Emmerstorfer, A.,Hromic, A.,Schrempf, S.,Steinkellner, G.,Wriessnegger, T.,Leitner, E.,Strohmeier, G.A.,Kaluzna, I.,Mink, D.,Schurmann, M.,Wallner, S.,Macheroux, P.,Gruber, K.,Pichler, H.
Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica.
Chembiochem, 16:1730-, 2015

PubMed Abstract: Hydratases provide access to secondary and tertiary alcohols by regio- and/or stereospecifically adding water to carbon-carbon double bonds. Thereby, hydroxy groups are introduced without the need for costly cofactor recycling, and that makes this approach highly interesting on an industrial scale. Here we present the first crystal structure of a recombinant oleate hydratase originating from Elizabethkingia meningoseptica in the presence of flavin adenine dinucleotide (FAD). A structure-based mutagenesis study targeting active site residues identified E122 and Y241 as crucial for the activation of a water molecule and for protonation of the double bond, respectively. Moreover, we also observed that two-electron reduction of FAD results in a sevenfold increase in the substrate hydration rate. We propose the first reaction mechanism for this enzyme class that explains the requirement for the flavin cofactor and the involvement of conserved amino acid residues in this regio- and stereoselective hydration.

PubMed: 26077980
DOI: 10.1002/CBIC.201500269

Experimental method

X-RAY DIFFRACTION (2.75 Å)