2dd4
From Proteopedia
(New page: 200px<br /><applet load="2dd4" size="450" color="white" frame="true" align="right" spinBox="true" caption="2dd4, resolution 2.06Å" /> '''Thiocyanate hydrolas...) |
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| - | [[Image:2dd4.jpg|left|200px]]<br /><applet load="2dd4" size=" | + | [[Image:2dd4.jpg|left|200px]]<br /><applet load="2dd4" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="2dd4, resolution 2.06Å" /> | caption="2dd4, resolution 2.06Å" /> | ||
'''Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme'''<br /> | '''Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme'''<br /> | ||
==Overview== | ==Overview== | ||
| - | Thiocyanate hydrolase (SCNase) of Thiobacillus thioparus THI115 is a | + | 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== | ==About this Structure== | ||
| - | 2DD4 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Thiobacillus_thioparus Thiobacillus thioparus] with FRU and TAR as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thiocyanate_hydrolase Thiocyanate hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.5.8 3.5.5.8] Full crystallographic information is available from [http:// | + | 2DD4 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Thiobacillus_thioparus Thiobacillus thioparus] with <scene name='pdbligand=FRU:'>FRU</scene> and <scene name='pdbligand=TAR:'>TAR</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thiocyanate_hydrolase Thiocyanate hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.5.8 3.5.5.8] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2DD4 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: thiocyanate]] | [[Category: thiocyanate]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:57:35 2008'' |
Revision as of 14:57, 21 February 2008
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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 and 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
Page seeded by OCA on Thu Feb 21 16:57:35 2008
Categories: Protein complex | Thiobacillus thioparus | Thiocyanate hydrolase | Arakawa, T. | Kamiya, N. | Kataoka, S. | Katayama, Y. | Kawano, Y. | Odaka, M. | Yohda, M. | FRU | TAR | Carbonyl sulfide | Claw setting | Cobalt | Complex | Enzyme | Hydrolase | Metalloprotein | Model complex | Nitrile hydratase | Non-corrin | Protein | Sulfenic acid | Sulfinic acid | Thiocyanate
