6io1

Crystal structure of a novel thermostable (S)-enantioselective omega-transaminase from Thermomicrobium roseum

spinqualitylabelsall models 6io1, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6io1 is a 2 chain structure with sequence from Thermomicrobium roseum DSM 5159. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.803Å Ligands: PMP Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function B9L0K9_THERP Publication Abstract from PubMed Transaminases catalyze the reversible transfer reaction of an amino group between a primary amine and an alpha-keto acid, utilizing pyridoxal 5'-phosphate as a cofactor. omega-transaminases (omegaTAs) recognize an amino group linked to a non-alpha carbon of amine substrates. Recently, a novel (S)-enantioselective omegaTA from Thermomicrobium roseum (Tr-omegaTA) was identified and its enzymatic activity reported. However, the detailed mechanism of (S)-enantioselective substrate recognition remained unclear. In this study, we determined the crystal structure of Tr-omegaTA at 1.8 A resolution to elucidate the mechanism underlying Tr-omegaTA substrate (S)-enantioselectivity. A structural analysis of Tr-omegaTA along with molecular docking simulations revealed that two pockets at the active site tightly restrict the size and orientation of functional groups of substrate candidates. Based on the structural information and docking simulation results, we propose a comprehensive catalytic mechanism of Tr-omegaTA. The present study thus provides structural and functional insights into the (S)-enantioselectivity of Tr-omegaTA. Structural basis of substrate recognition by a novel thermostable (S)-enantioselective omega-transaminase from Thermomicrobium roseum.,Kwon S, Lee JH, Kim CM, Jang H, Yun H, Jeon JH, So I, Park HH Sci Rep. 2019 May 6;9(1):6958. doi: 10.1038/s41598-019-43490-2. PMID:31061438 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Aminotransferase 3D structures

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