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Misra"],"technology_type":["Mass Spectrometry","Bottom-up proteomics"],"software":["Not available"],"submitter_keywords":["Cu proteins","De novo protein design"],"full_dataset_link":["https://www.ebi.ac.uk/pride/archive/projects/PXD061034"],"sample_protocol":["The peptide were syntheisized in the laboratory. The samples were run on Thermo Orbitrap coupled with Dionex system."],"repository":["Pride"],"quantification_method":[""],"modification":[""],"data_protocol":["The area of the oxidized peptide as well as unoxidized peptides were calcualted from Xcalibur and the percent oxidation of the peptide was calculated."],"omics_type":["Proteomics"],"labhead":["Sandeep Misra"],"instrument_platform":[""],"submission_type":["PARTIAL"],"labhead_affiliation":["University of Mississippi"],"species":["Homo Sapiens (human)"],"publication":["40801149 Prakash D, Wu Y, Misra SK, Sampath N, Wang B, Chakraborty S. Mechanism of Oxidative C─H Bond Activation by De Novo Designed Artificial Cu Metalloenzymes Using H&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;2&lt;/sub&gt; and O&lt;sub&gt;2&lt;/sub&gt;. Chemistry. 2025 31(52):e01245 10.1002/chem.202501245"],"submitter_mail":["skmisra@olemiss.edu"],"submitter_affiliation":["University of Mississippi"],"submitter_country":["United States"],"pubmed_abstract":["De novo-designed artificial Cu protein (ArCuP), 3SCC, featuring a trigonal Cu(His)<sub>3</sub> binding environment, activates H<sub>2</sub>O<sub>2</sub>, O<sub>2</sub>, and benzylic C─H bonds of abiotic substrates. We outline the mechanism of ArCuP-catalyzed C─H peroxidation of one such abiotic substrate, the peroxidation of benzyl alcohol (BA) to benzaldehyde. The Cu<sup>I</sup>(H<sub>2</sub>O<sub>2</sub>) complex undergoes homolytic cleavage, producing Cu<sup>II</sup>-OH and <sup>•</sup>OH, akin to the lytic polysaccharide monooxygenases (LPMOs). The rate-limiting step is found in a PCET process, where the Cu<sup>II</sup>-OH species accepts the benzylic C─H proton, accompanied by electron transfer from the O-centered substrate radical, to produce benzaldehyde. The C─H peroxidation is modulated by outer-sphere modifications, with the I12A-3SCC variant having the highest catalytic proficiency. Combined <sup>•</sup>OH monitoring and proteomics analysis reveal that the I12A variant produces the least amount of <sup>•</sup>OH, indicating no oxidation of the active site His residues, unlike other ArCuPs. The chemical and thermal stability of the I12A variant contributes to its superior reactivity. The presence of substrate significantly lowers protein-level oxidation, similar to LPMOs and other Cu and heme-based enzymes."],"pubmed_title":["Mechanism of Oxidative C─H Bond Activation by De Novo Designed Artificial Cu Metalloenzymes Using H&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;2&lt;/sub&gt; and O&lt;sub&gt;2&lt;/sub&gt;."],"pubmed_authors":["Prakash Divyansh D, Wu Yao Y, Misra Sandeep K SK, Sampath Nishanthini N, Wang Binju B, Chakraborty Saumen S"],"additional_accession":[]},"is_claimable":false,"name":"H2O2, O2, and C-H Activation by Artificial Copper Proteins (ArCuPs)","description":"De novo-designed artificial Cu protein (ArCuP), 3SCC, featuring a trigonal Cu(His)3 binding environment, has been shown to activate H2O2, O2, and benzylic C-H bonds of abiotic substrates. We outline the mechanism of ArCuP-catalyzed C-H peroxidation of one such abiotic substrate, the peroxidation of benzyl alcohol to benzaldehyde.","dates":{"publication":"2026-06-01","submission":"2025-02-21"},"accession":"PXD061034","cross_references":{"TAXONOMY":["NEWT:6945","NEWT:3555","NEWT:2","NEWT:157546","NEWT:35554","NEWT:9417","NEWT:347515","NEWT:1216979","NEWT:307972","NEWT:544496","NEWT:5180","NEWT:115104","NEWT:1081927","NEWT:67825","NEWT:13076","NEWT:1249668","NEWT:376741","NEWT:317","NEWT:1736309","NEWT:7227","NEWT:7469","NEWT:885318","NEWT:876138","NEWT:4081","NEWT:554","NEWT:98334","NEWT:237561","NEWT:10036","NEWT:7574","NEWT:1351","NEWT:7215","NEWT:272563","NEWT:507601","NCBITaxon:79857","NEWT:95648","NEWT:746360","NEWT:6239","NEWT:1589","NEWT:470150","NEWT:135622","NEWT:216257","NEWT:6915","NEWT:9986","NEWT:101510","NEWT:3880","NEWT:1000589","NEWT:1902","NEWT:85962","NEWT:160488","NEWT:317447","NEWT:7955","NCBITaxon:2","NEWT:985076","NEWT:7959","NEWT:2261","NEWT:4565","NEWT:1264690","NCBITaxon:38727","NEWT:34305","NEWT:59729","NCBITaxon:183674","NEWT:224308","NEWT:626528","NEWT:139927","NEWT:4558","NEWT:243230","NEWT:931281","NEWT:7029","NEWT:1283300","NEWT:334747","NCBITaxon:79824","NCBITaxon:4563","NEWT:3218","NEWT:5759","NEWT:1736231","NEWT:6287","NEWT:2242","NEWT:9796","NEWT:725","NEWT:260707","NEWT:287","NEWT:10117","NEWT:10239","NEWT:10116","NEWT:1280","NEWT:1836","NEWT:1735272","NEWT:29760","NEWT:260705","NEWT:80863","NEWT:1148","NEWT:11676","NEWT:100226","NCBITaxon:6073","NEWT:4530","NEWT:4896","NEWT:6279","NEWT:7370","NEWT:6282","NEWT:1134506","NEWT:1773","NEWT:38783","NEWT:8727","NEWT:1182590","NEWT:8726","NEWT:10090","NEWT:935293","NEWT:749200","NEWT:4120","NEWT:5693","NEWT:8724","NEWT:51511","NEWT:92867","NEWT:8723","NEWT:990346","NEWT:5334","NEWT:145953","NEWT:257309","NEWT:284812","NCBITaxon:1313","NEWT:43330","NEWT:44544","NEWT:373995","NEWT:544404","NEWT:3702","NEWT:8839","NEWT:4232","NEWT:990119","NEWT:4113","NEWT:11298","NEWT:171101","NEWT:5691","NEWT:408170","NEWT:493760","NEWT:260710","NEWT:627025","NEWT:400772","NEWT:3708","NEWT:106592","NEWT:9913","NEWT:4100","NEWT:1076","NEWT:6763","NEWT:803","NEWT:8030","NEWT:380394","NEWT:1639","NEWT:188229","NEWT:4909","NEWT:135588","NEWT:95486","NEWT:58002","NEWT:9103","NEWT:4577","NEWT:5664","NEWT:2157","NEWT:146479","NEWT:1911079","NEWT:145943","NEWT:3635","NEWT:235443","NEWT:1480154","NEWT:3197","NEWT:9615","NEWT:884019","NEWT:169963","NEWT:36329","NEWT:9606","NEWT:367830","NEWT:157295","NEWT:373153","NEWT:915099","NEWT:470","NEWT:84023","NEWT:9838","NCBITaxon:9615","NEWT:1193501","NEWT:3055","NEWT:6326","NEWT:2762","NEWT:5476","NEWT:1174673","NEWT:562","NEWT:4932","NEWT:70448","NEWT:9825","NEWT:3603","NEWT:698936","NEWT:2759","NEWT:39946","NEWT:9823","NEWT:573","NEWT:7091"],"pubmed":["40801149"]}}