2dd4

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Revision as of 07:25, 21 November 2007

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spinqualitylabelsall models 2dd4, resolution 2.06Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme

Overview

Thiocyanate hydrolase (SCNase) of Thiobacillus thioparus THI115 is a, cobalt(III)-containing enzyme catalyzing the degradation of thiocyanate to, carbonyl sulfide and ammonia. We determined the crystal structures of the, apo- and native SCNases at a resolution of 2.0 A. SCNases in both forms, had a conserved hetero-dodecameric structure, (alphabetagamma)(4). Four, alphabetagamma hetero-trimers were structurally equivalent. One, alphabetagamma hetero-trimer was composed of the core domain and the betaN, domain, which was located at the center of the molecule and linked the, hetero-trimers with novel quaternary interfaces. In both the apo- and, native SCNases, the core domain was structurally conserved between those, of iron and cobalt-types of nitrile hydratase (NHase). Native SCNase, possessed the post-translationally modified cysteine ligands, gammaCys131-SO(2)H and gammaCys133-SOH like NHases. However, the low-spin, cobalt(III) was found to be in the distorted square-pyramidal geometry, which had not been reported before in any protein. The size as well as the, electrostatic properties of the substrate-binding pocket was totally, different from NHases with respect to the charge distribution and the, substrate accessibility, which rationally explains the differences in the, substrate preference between SCNase and NHase.

About this Structure

2DD4 is a Protein complex structure of sequences from Thiobacillus thioparus with FRU and TAR as ligands. Active as Thiocyanate hydrolase, with EC number 3.5.5.8 Full crystallographic information is available from OCA.

Reference

Structure of thiocyanate hydrolase: a new nitrile hydratase family protein with a novel five-coordinate cobalt(III) center., Arakawa T, Kawano Y, Kataoka S, Katayama Y, Kamiya N, Yohda M, Odaka M, J Mol Biol. 2007 Mar 9;366(5):1497-509. Epub 2006 Dec 8. PMID:17222425

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