{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,13]],"date-time":"2026-02-13T17:19:46Z","timestamp":1771003186615,"version":"3.50.1"},"reference-count":29,"publisher":"International Union of Crystallography (IUCr)","issue":"10","license":[{"start":{"date-parts":[[2014,9,25]],"date-time":"2014-09-25T00:00:00Z","timestamp":1411603200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2014,9,25]],"date-time":"2014-09-25T00:00:00Z","timestamp":1411603200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr F Struct Biol Commun","Acta Crystallogr F","Acta Crystallogr F Struct Biol Cryst Commun","Acta Cryst F","Acta Cryst F Struct Biol Commun","Acta Cryst Sect F","Acta Cryst Sect F Struct Biol Commun","Acta Crystallogr Sect F","Acta Crystallogr Sect F Struct Biol Commun","Acta Crystallogr Sect F Struct Biol Cryst Commun"],"published-print":{"date-parts":[[2014,10,1]]},"abstract":"<jats:p>The binding of anions to carbonic anhydrase II (CA II) has been attributed to high affinity for the active-site zinc. An anion of interest is cyanate, for which contrasting binding modes have been reported in the literature. Previous spectroscopic data have shown cyanate behaving as an inhibitor, directly binding to the zinc, in contrast to previous crystallographic data that implied that cyanate acts as a substrate mimic that is not directly bound to the zinc but overlaps with the binding site of the substrate CO<jats:sub>2<\/jats:sub>. Wild-type and the V207I variant of CA II have been expressed and X-ray crystal structures of their cyanate complexes have been determined to 1.7 and 1.5\u2005\u00c5 resolution, respectively. The rationale for the V207I CA II variant was its close proximity to the CO<jats:sub>2<\/jats:sub>-binding site. Both structures clearly show that the cyanate binds directly to the zinc. In addition, inhibition constants (\u223c40\u2005\u00b5<jats:italic>M<\/jats:italic>) were measured using<jats:sup>18<\/jats:sup>O-exchange mass spectrometry for wild-type and V207I CA II and were similar to those determined previously (Supuran<jats:italic>et al.<\/jats:italic>, 1997). Hence, it is concluded that under the conditions of these experiments the binding of cyanate to CA II is directly to the zinc, displacing the zinc-bound solvent molecule, and not in a site that overlaps with the CO<jats:sub>2<\/jats:sub>substrate-binding site.<\/jats:p>","DOI":"10.1107\/s2053230x14018135","type":"journal-article","created":{"date-parts":[[2014,9,24]],"date-time":"2014-09-24T15:45:59Z","timestamp":1411573559000},"page":"1324-1327","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":3,"title":["Human carbonic anhydrase II\u2013cyanate inhibitor complex: putting the debate to rest"],"prefix":"10.1107","volume":"70","author":[{"given":"Dayne","family":"West","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Melissa A.","family":"Pinard","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chingkuang","family":"Tu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David N.","family":"Silverman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Robert","family":"McKenna","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2014,9,25]]},"reference":[{"key":"hv5262_bb1","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1107\/S0907444909052925","volume":"66","author":"Adams","year":"2010","journal-title":"Acta Cryst. D"},{"key":"hv5262_bb2","doi-asserted-by":"crossref","first-page":"4421","DOI":"10.1021\/cr200176r","volume":"112","author":"Alterio","year":"2012","journal-title":"Chem. Rev."},{"key":"hv5262_bb3","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1016\/S0958-1669(99)00003-8","volume":"10","author":"Baneyx","year":"1999","journal-title":"Curr. Opin. Biotechnol."},{"key":"hv5262_bb6","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1007\/BFb0111580","volume":"48","author":"Bertini","year":"1982","journal-title":"Struct. Bonding"},{"key":"hv5262_bb7","doi-asserted-by":"crossref","first-page":"30766","DOI":"10.1074\/jbc.M805353200","volume":"283","author":"Domsic","year":"2008","journal-title":"J. Biol. Chem."},{"key":"hv5262_bb8","doi-asserted-by":"crossref","first-page":"2126","DOI":"10.1107\/S0907444904019158","volume":"60","author":"Emsley","year":"2004","journal-title":"Acta Cryst. D"},{"key":"hv5262_bb9","doi-asserted-by":"crossref","first-page":"11054","DOI":"10.1021\/bi00110a007","volume":"30","author":"Fierke","year":"1991","journal-title":"Biochemistry"},{"key":"hv5262_bb10","doi-asserted-by":"crossref","first-page":"2930","DOI":"10.1021\/bi062066y","volume":"46","author":"Fisher","year":"2007","journal-title":"Biochemistry"},{"key":"hv5262_bb11","doi-asserted-by":"crossref","first-page":"3803","DOI":"10.1021\/bi602620k","volume":"46","author":"Fisher","year":"2007","journal-title":"Biochemistry"},{"key":"hv5262_bb12","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1107\/S0907444993009667","volume":"50","author":"H\u00e5kansson","year":"1994","journal-title":"Acta Cryst. D"},{"key":"hv5262_bb13","doi-asserted-by":"crossref","first-page":"1192","DOI":"10.1016\/0022-2836(92)90531-N","volume":"227","author":"H\u00e5kansson","year":"1992","journal-title":"J. Mol. Biol."},{"key":"hv5262_bb14","doi-asserted-by":"crossref","first-page":"1212","DOI":"10.1016\/0022-2836(92)90327-G","volume":"228","author":"H\u00e5kansson","year":"1992","journal-title":"J. Mol. Biol."},{"key":"hv5262_bb15","doi-asserted-by":"crossref","first-page":"186","DOI":"10.1016\/0014-5793(93)81565-H","volume":"322","author":"J\u00f6nsson","year":"1993","journal-title":"FEBS Lett."},{"key":"hv5262_bb16","doi-asserted-by":"crossref","first-page":"2658","DOI":"10.1021\/bi00280a011","volume":"22","author":"Kanamori","year":"1983","journal-title":"Biochemistry"},{"key":"hv5262_bb17","doi-asserted-by":"crossref","first-page":"4496","DOI":"10.1021\/bi00068a004","volume":"32","author":"Krebs","year":"1993","journal-title":"Biochemistry"},{"key":"hv5262_bb18","unstructured":"Liljas, A., H\u00e5kansson, K., Jonsson, B. H. & Xue, Y. (1995). EJB Reviews 1994, edited by P. Christen & E. Hoffmann, pp. 1-10. Berlin, Heidelberg: Springer."},{"key":"hv5262_bb19","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1002\/prot.340150207","volume":"15","author":"Lindahl","year":"1993","journal-title":"Proteins"},{"key":"hv5262_bb20","doi-asserted-by":"crossref","first-page":"2641","DOI":"10.1021\/bi00872a023","volume":"5","author":"Lindskog","year":"1966","journal-title":"Biochemistry"},{"key":"hv5262_bb21","doi-asserted-by":"crossref","first-page":"439","DOI":"10.1146\/annurev.pa.23.040183.002255","volume":"23","author":"Maren","year":"1983","journal-title":"Annu. Rev. Pharmacol. Toxicol."},{"key":"hv5262_bb22","unstructured":"McPherson, A. (1982). Preparation and Analysis of Protein Crystals. New York: John Wiley & Sons."},{"key":"hv5262_bb24","doi-asserted-by":"crossref","first-page":"17320","DOI":"10.1016\/S0021-9258(19)47376-6","volume":"266","author":"Nair","year":"1991","journal-title":"J. Biol. Chem."},{"key":"hv5262_bb25","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1016\/S0076-6879(97)76066-X","volume":"276","author":"Otwinowski","year":"1997","journal-title":"Methods Enzymol."},{"key":"hv5262_bb26","doi-asserted-by":"crossref","first-page":"1608","DOI":"10.1136\/jnnp.74.12.1608","volume":"74","author":"Pulst","year":"2003","journal-title":"J. Neurol. Neurosurg. Psychiatry"},{"key":"hv5262_bb27","doi-asserted-by":"crossref","first-page":"551","DOI":"10.1016\/S0076-6879(82)87031-6","volume":"87","author":"Schowen","year":"1982","journal-title":"Methods Enzymol."},{"key":"hv5262_bb28","doi-asserted-by":"crossref","first-page":"1355","DOI":"10.1107\/S0907444904011679","volume":"60","author":"Sch\u00fcttelkopf","year":"2004","journal-title":"Acta Cryst. D"},{"key":"hv5262_bb29","doi-asserted-by":"crossref","first-page":"732","DOI":"10.1016\/S0076-6879(82)87037-7","volume":"87","author":"Silverman","year":"1982","journal-title":"Methods Enzymol."},{"key":"hv5262_bb30","doi-asserted-by":"crossref","first-page":"10609","DOI":"10.1073\/pnas.0904184106","volume":"106","author":"Sj\u00f6blom","year":"2009","journal-title":"Proc. Natl Acad. Sci. USA"},{"key":"hv5262_bb31","doi-asserted-by":"crossref","first-page":"272","DOI":"10.1002\/(SICI)1097-0134(199702)27:2<272::AID-PROT12>3.0.CO;2-J","volume":"27","author":"Supuran","year":"1997","journal-title":"Proteins"},{"key":"hv5262_bb32","doi-asserted-by":"crossref","first-page":"9156","DOI":"10.1021\/bi301155z","volume":"51","author":"West","year":"2012","journal-title":"Biochemistry"}],"container-title":["Acta Crystallographica Section F Structural Biology Communications"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/f\/issues\/2014\/10\/00\/hv5262\/hv5262.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/f\/issues\/2014\/10\/00\/hv5262\/hv5262.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T09:55:13Z","timestamp":1736762113000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053230X14018135"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,9,25]]},"references-count":29,"journal-issue":{"issue":"10","published-online":{"date-parts":[[2014,10]]}},"alternative-id":["S2053230X14018135"],"URL":"https:\/\/doi.org\/10.1107\/s2053230x14018135","relation":{},"ISSN":["2053-230X"],"issn-type":[{"value":"2053-230X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,9,25]]},"assertion":[{"value":"Acta Crystallographica Section F: Structural Biology Communications","name":"journal","label":"Journal","explanation":{"URL":"http:\/\/journals.iucr.org\/f"}},{"value":"structural communications","name":"content_type","label":"Content type","explanation":{"URL":"http:\/\/journals.iucr.org\/f\/issues\/2011\/01\/00\/me0435\/index.html"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"19 May 2014","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"7 August 2014","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"25 September 2014","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?hv5262"}},{"value":"\u00a9 2014 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}