6qhp

Time resolved structural analysis of the full turnover of an enzyme - 2256 ms covalent intermediate 1

spinqualitylabelsall models 6qhp, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6qhp is a 2 chain structure with sequence from Rhodopseudomonas palustris and Rhodopseudomonas palustris CGA009. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.8Å Ligands: ASB, FAH Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function DEHA_RHOPA Catalyzes the hydrolytic defluorination of fluoroacetate to produce glycolate. Has lower activity towards bromoacetate and chloroacetate. Publication Abstract from PubMed A comprehensive understanding of protein function demands correlating structure and dynamic changes. Using time-resolved serial synchrotron crystallography, we visualized half-of-the-sites reactivity and correlated molecular-breathing motions in the enzyme fluoroacetate dehalogenase. Eighteen time points from 30 milliseconds to 30 seconds cover four turnover cycles of the irreversible reaction. They reveal sequential substrate binding, covalent-intermediate formation, setup of a hydrolytic water molecule, and product release. Small structural changes of the protein mold and variations in the number and placement of water molecules accompany the various chemical steps of catalysis. Triggered by enzyme-ligand interactions, these repetitive changes in the protein framework's dynamics and entropy constitute crucial components of the catalytic machinery. Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.,Mehrabi P, Schulz EC, Dsouza R, Muller-Werkmeister HM, Tellkamp F, Miller RJD, Pai EF Science. 2019 Sep 13;365(6458):1167-1170. doi: 10.1126/science.aaw9904. PMID:31515393 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Dehalogenase 3D structures

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