Journal:Acta Cryst F:S2053230X21012632

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<b>Molecular Tour</b><br>
<b>Molecular Tour</b><br>
The high-resolution structure of a putative short-chain reductase from the commercially important bacteria ''Paraburkholderia xenovorans'' is reported (''Px''SDR). The reported apo structure of ''Px''SDR was determined in the monoclinic space group ''P''2<sub>1</sub> as a <scene name='89/899477/Cv/2'>prototypical SDR tetramer</scene>. ''P. xenovorans'' degrades organic wastes like polychlorinated biphenyls. ''Px''SDR shares less than 37% sequence identity with any known structure (see static image below) and assembles as a prototypical SDR tetramer.
The high-resolution structure of a putative short-chain reductase from the commercially important bacteria ''Paraburkholderia xenovorans'' is reported (''Px''SDR). The reported apo structure of ''Px''SDR was determined in the monoclinic space group ''P''2<sub>1</sub> as a <scene name='89/899477/Cv/2'>prototypical SDR tetramer</scene>. ''P. xenovorans'' degrades organic wastes like polychlorinated biphenyls. ''Px''SDR shares less than 37% sequence identity with any known structure (see static image below) and assembles as a prototypical SDR tetramer.
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[[Image:Figure2t1.png|left|450px|thumb|Structural and primary-sequence alignment of ''Px''SDR with the closest structures identified by ''PDBeFold''. Also shown is the percent identity matrix generated with ''Clustal''2.1. The structures are PDB entry [[5jc8]] (the apo structure of ''Px''SDR), PDB entry [[1iy8]] (the crystal structure of levodione reductase from ''Leifsonia aquatica''), PDB entry [[3ftp]] [3-ketoacyl-(acyl-carrier-protein) reductase from ''Burkholderia pseudomallei''], PDB entry [[6t6n]] [''Klebsiella pneumoniae'' FabG2(NADH-dependent) in complex with NADH] and PDB entry [[6ixm]] (ketone reductase ChKRED20 from the genome of ''Chryseobacterium''). The secondary-structure elements shown are α-helices (α), 33<sub>10</sub>-helices (η), β-strands (β) and β-turns (TT). Identical residues are shown in white on a red background and conserved residues are shown in red. This figure was generated using ''ESPript'' (Gouet et al., 1999, 2003)<ref name="Gouet1">PMID:10320398</ref>,<ref name="Gouet2">PMID:12824317</ref>.]]
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[[Image:Figure2t1.png|left|450px|thumb|Structural and primary-sequence alignment of ''Px''SDR with the closest structures identified by ''PDBeFold''. Also shown is the percent identity matrix generated with ''Clustal''2.1. The structures are PDB entry [[5jc8]] (the apo structure of ''Px''SDR), PDB entry [[1iy8]] (the crystal structure of levodione reductase from ''Leifsonia aquatica''), PDB entry [[3ftp]] [3-ketoacyl-(acyl-carrier-protein) reductase from ''Burkholderia pseudomallei''], PDB entry [[6t6n]] [''Klebsiella pneumoniae'' FabG2(NADH-dependent) in complex with NADH] and PDB entry [[6ixm]] (ketone reductase ChKRED20 from the genome of ''Chryseobacterium''). The secondary-structure elements shown are α-helices (α), 3<sub>10</sub>-helices (η), β-strands (β) and β-turns (TT). Identical residues are shown in white on a red background and conserved residues are shown in red. This figure was generated using ''ESPript'' (Gouet et al., 1999, 2003)<ref name="Gouet1">PMID:10320398</ref>,<ref name="Gouet2">PMID:12824317</ref>.]]
{{Clear}}
{{Clear}}
As expected, there is some conformational flexibility and differences between the <scene name='89/899477/Cv/3'>substrate-binding cavity</scene>, which explains substrate specificity. The substrate-binding cavity is labeled in royalblue. The superposed structures are PDB entry [[5jc8]] (apo structure of ''Px''SDR, whitesmoke), PDB entry [[1iy8]] (crystal structure of levodione reductase from ''Leifsonia aquatica'', red), PDB entry [[3ftp]] [3-ketoacyl-(acyl-carrier-protein) reductase from ''Burkholderia pseudomallei'', yellow], PDB entry [[6t6n]] [''Klebsiella pneumoniae''
As expected, there is some conformational flexibility and differences between the <scene name='89/899477/Cv/3'>substrate-binding cavity</scene>, which explains substrate specificity. The substrate-binding cavity is labeled in royalblue. The superposed structures are PDB entry [[5jc8]] (apo structure of ''Px''SDR, whitesmoke), PDB entry [[1iy8]] (crystal structure of levodione reductase from ''Leifsonia aquatica'', red), PDB entry [[3ftp]] [3-ketoacyl-(acyl-carrier-protein) reductase from ''Burkholderia pseudomallei'', yellow], PDB entry [[6t6n]] [''Klebsiella pneumoniae''

Revision as of 13:57, 9 January 2022

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