{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,20]],"date-time":"2026-09-20T01:23:02Z","timestamp":1789867382885,"version":"4.0.1"},"reference-count":42,"publisher":"The Royal Society","issue":"4","license":[{"start":{"date-parts":[[2017,4,1]],"date-time":"2017-04-01T00:00:00Z","timestamp":1491004800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/royalsociety.org\/journals\/ethics-policies\/data-sharing-mining\/"}],"funder":[{"name":"MINECO-FEDER","award":["BIO2013-45336-R"],"award-info":[{"award-number":["BIO2013-45336-R"]}]},{"name":"ALBA Proposals","award":["2014070959"],"award-info":[{"award-number":["2014070959"]}]},{"name":"ALBA Proposals","award":["2015081338"],"award-info":[{"award-number":["2015081338"]}]},{"name":"ALBA Proposals","award":["2016091902"],"award-info":[{"award-number":["2016091902"]}]},{"name":"Ayudas a los Grupos y Unidades de Excelencia Cient\u00edfica de la Regi\u00f3n de Murcia, Fundaci\u00f3n S\u00e9neca- Agencia de Ciencia y Tecnolog\u00eda de la Regi\u00f3n de Murcia","award":["19893\/GERM\/15, Programa de Apoyo a la Investigacio"],"award-info":[{"award-number":["19893\/GERM\/15, Programa de Apoyo a la Investigacio"]}]}],"content-domain":{"domain":["royalsocietypublishing.org"],"crossmark-restriction":true},"short-container-title":["Open Biol."],"published-print":{"date-parts":[[2017,4]]},"abstract":"<jats:p>\n                    Macrodomains are ubiquitous conserved domains that bind or transform ADP-ribose (ADPr) metabolites. In humans, they are involved in transcription, X-chromosome inactivation, neurodegeneration and modulating PARP1 signalling, making them potential targets for therapeutic agents. Unfortunately, some aspects related to the substrate binding and catalysis of MacroD-like macrodomains still remain unclear, since mutation of the proposed catalytic aspartate does not completely abolish enzyme activity. Here, we present a functional and structural characterization of a macrodomain from the extremely halotolerant and alkaliphilic bacterium\n                    <jats:italic>Oceanobacillus iheyensis<\/jats:italic>\n                    (OiMacroD), related to hMacroD1\/hMacroD2, shedding light on substrate binding and catalysis. The crystal structures of D40A, N30A and G37V mutants, and those with MES, ADPr and ADP bound, allowed us to identify five fixed water molecules that play a significant role in substrate binding. Closure of the \u03b26\u2013\u03b14 loop is revealed as essential not only for pyrophosphate recognition, but also for distal ribose orientation. In addition, a novel structural role for residue D40 is identified. Furthermore, it is revealed that OiMacroD not only catalyses the hydrolysis of\n                    <jats:italic>O<\/jats:italic>\n                    -acetyl-ADP-ribose but also reverses protein mono-ADP-ribosylation. Finally, mutant G37V supports the participation of a substrate-coordinated water molecule in catalysis that helps to select the proper substrate conformation.\n                  <\/jats:p>","DOI":"10.1098\/rsob.160327","type":"journal-article","created":{"date-parts":[[2017,4,26]],"date-time":"2017-04-26T05:10:17Z","timestamp":1493183417000},"page":"160327","update-policy":"https:\/\/doi.org\/10.1098\/crossmark-policy","source":"Crossref","is-referenced-by-count":22,"title":["Structural and functional analysis of\n                    <i>Oceanobacillus iheyensis<\/i>\n                    macrodomain reveals a network of waters involved in substrate binding and catalysis"],"prefix":"10.1098","volume":"7","author":[{"given":"Rub\u00e9n","family":"Zapata-P\u00e9rez","sequence":"first","affiliation":[{"name":"Department of Biochemistry and Molecular Biology-A, Faculty of Biology, Regional Campus of International Excellence \u2018Campus Mare Nostrum\u2019, University of Murcia, Campus Espinardo, 30100 Murcia, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fernando","family":"Gil-Ortiz","sequence":"additional","affiliation":[{"name":"CELLS-ALBA Synchrotron Light Source, 08290 Barcelona, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ana Bel\u00e9n","family":"Mart\u00ednez-Mo\u00f1ino","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology-A, Faculty of Biology, Regional Campus of International Excellence \u2018Campus Mare Nostrum\u2019, University of Murcia, Campus Espinardo, 30100 Murcia, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Antonio Gin\u00e9s","family":"Garc\u00eda-Saura","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology-A, Faculty of Biology, Regional Campus of International Excellence \u2018Campus Mare Nostrum\u2019, University of Murcia, Campus Espinardo, 30100 Murcia, 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