2yyk

Crystal structure of the mutant of HpaB (T198I, A276G, and R466H)

spinqualitylabelsall models 2yyk, resolution 1.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2yyk is a 1 chain structure with sequence from Thet8. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: ACY, GOL, NA Related: 2yyg, 2yyi, 2yyj, 2yyl, 2yym Activity: 4-hydroxyphenylacetate 3-monooxygenase, with EC number 1.14.14.9 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [HPAB_THET8] Utilizes FADH(2) supplied by HpaC, to catalyze the hydroxylation of 4-hydroxyphenylacetic acid, leading to the production of 3,4-dihydroxyphenylacetic acid (DHPA). Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed The 4-hydroxyphenylacetate (4HPA) 3-monooxygenase is involved in the initial step of the 4HPA degradation pathway and catalyzes 4HPA hydroxylation to 3,4-dihydroxyphenylacetate. This enzyme consists of two components, an oxygenase (HpaB) and a reductase (HpaC). To understand the structural basis of the catalytic mechanism of HpaB, crystal structures of HpaB from Thermus thermophilus HB8 were determined in three states: a ligand-free form, a binary complex with FAD, and a ternary complex with FAD and 4HPA. Structural analysis revealed that the binding and dissociation of flavin are accompanied by conformational changes of the loop between beta5 and beta6 and of the loop between beta8 and beta9, leading to preformation of part of the substrate-binding site (Ser-197 and Thr-198). The latter loop further changes its conformation upon binding of 4HPA and obstructs the active site from the bulk solvent. Arg-100 is located adjacent to the putative oxygen-binding site and may be involved in the formation and stabilization of the C4a-hydroperoxyflavin intermediate. Crystal structure of the oxygenase component (HpaB) of the 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8.,Kim SH, Hisano T, Takeda K, Iwasaki W, Ebihara A, Miki K J Biol Chem. 2007 Nov 9;282(45):33107-17. Epub 2007 Sep 5. PMID:17804419 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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