{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,24]],"date-time":"2025-10-24T07:59:30Z","timestamp":1761292770056},"reference-count":59,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Am. Chem. Soc."],"published-print":{"date-parts":[[2011,1,19]]},"DOI":"10.1021\/ja104433n","type":"journal-article","created":{"date-parts":[[2010,12,16]],"date-time":"2010-12-16T14:12:28Z","timestamp":1292508748000},"page":"239-251","source":"Crossref","is-referenced-by-count":38,"title":["Controlling and Fine Tuning the Physical Properties of Two Identical Metal Coordination Sites in De Novo Designed Three Stranded Coiled Coil Peptides"],"prefix":"10.1021","volume":"133","author":[{"given":"Olga","family":"Iranzo","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States; Instituto de Tecnologia Qu\u00edmica e Biol\u00f3gica, Universidade Nova de Lisboa, 2781-901 Oeiras, Portugal; and Department of Basic Sciences and Environment, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg, Denmark"}]},{"given":"Saumen","family":"Chakraborty","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States; Instituto de Tecnologia Qu\u00edmica e Biol\u00f3gica, Universidade Nova de Lisboa, 2781-901 Oeiras, Portugal; and Department of Basic Sciences and Environment, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg, Denmark"}]},{"given":"Lars","family":"Hemmingsen","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States; Instituto de Tecnologia Qu\u00edmica e Biol\u00f3gica, Universidade Nova de Lisboa, 2781-901 Oeiras, Portugal; and Department of Basic Sciences and Environment, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg, Denmark"}]},{"given":"Vincent L.","family":"Pecoraro","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States; Instituto de Tecnologia Qu\u00edmica e Biol\u00f3gica, Universidade Nova de Lisboa, 2781-901 Oeiras, Portugal; and Department of Basic Sciences and Environment, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg, Denmark"}]}],"member":"316","published-online":{"date-parts":[[2010,12,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1146\/annurev.biochem.68.1.779","volume":"68","author":"DeGrado W. F.","year":"1999","journal-title":"Annu. Rev. Biochem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1016\/S1367-5931(97)80050-6","volume":"1","author":"Gibney B.","year":"1997","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"2271","DOI":"10.1039\/b818306f","author":"Peacock A. F. A.","year":"2009","journal-title":"Dalton Trans."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1038\/nature08304","volume":"460","author":"Lu Y.","year":"2009","journal-title":"Nature"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"9959","DOI":"10.1021\/ic061183e","volume":"45","author":"Iranzo O.","year":"2006","journal-title":"Inorg. Chem."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"4952","DOI":"10.1021\/ja9833117","volume":"121","author":"Gibney B. R.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1016\/S0898-8838(00)51008-3","volume":"51","author":"Gibney B. R.","year":"2001","journal-title":"Adv. Inorg. Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1021\/cr0206115","volume":"104","author":"Reedy C. J.","year":"2004","journal-title":"Chem. Rev."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"8218","DOI":"10.1021\/ic048502r","volume":"43","author":"Zhuang J.","year":"2004","journal-title":"Inorg. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1016\/j.jinorgbio.2004.01.002","volume":"98","author":"Kennedy M. L.","year":"2004","journal-title":"J. Inorg. Biochem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"663","DOI":"10.1021\/ja059923q","volume":"128","author":"Cochran F. V.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"11921","DOI":"10.1021\/ja800697g","volume":"130","author":"McAllister K. A.","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"8141","DOI":"10.1021\/ja039935g","volume":"126","author":"Ghirlanda G.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1002\/(SICI)1097-0282(1998)47:1<5::AID-BIP3>3.0.CO;2-Y","volume":"47","author":"Nastri F.","year":"1998","journal-title":"Peptide Sci."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"2059","DOI":"10.1039\/a904573b","author":"Sakamoto S. O., I.","year":"1999","journal-title":"J. Chem. Soc., Perkin Trans. 2,"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.1016\/S0960-894X(00)00564-3","volume":"10","author":"Obataya I.","year":"2000","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"264","DOI":"10.1002\/bip.20230","volume":"80","author":"Calhoun J. R.","year":"2005","journal-title":"Peptide Sci."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"17266","DOI":"10.1021\/ja054199x","volume":"127","author":"Geremia S.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1971","DOI":"10.1016\/j.jinorgbio.2004.07.015","volume":"98","author":"Kharenko O. A.","year":"2004","journal-title":"J. Inorg. Biochem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"7678","DOI":"10.1021\/ja042757m","volume":"127","author":"Kharenko O. A.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1327","DOI":"10.1110\/ps.9.7.1327","volume":"9","author":"Li X. Q.","year":"2000","journal-title":"Protein Sci."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"13008","DOI":"10.1021\/ja982768d","volume":"120","author":"Suzuki K.","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1111\/j.1399-3011.2004.00109.x","volume":"63","author":"Kiyokawa T.","year":"2004","journal-title":"J. Peptide Res."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"907","DOI":"10.1002\/bip.21277","volume":"91","author":"Shiga D.","year":"2009","journal-title":"Biopolymers"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"7902","DOI":"10.1021\/ic048939z","volume":"43","author":"Ghosh D.","year":"2004","journal-title":"Inorg. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"3760","DOI":"10.1073\/pnas.0336055100","volume":"100","author":"Farrer B.","year":"2003","journal-title":"Proc. Natl. Acad. Sci., U.S.A."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"897","DOI":"10.1006\/jmbi.1998.1891","volume":"280","author":"Dieckmann G. R.","year":"1998","journal-title":"J. Mol. Biol."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"6195","DOI":"10.1021\/ja964351i","volume":"119","author":"Dieckmann G. R.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"14696","DOI":"10.1021\/bi015649a","volume":"40","author":"Farrer B. T.","year":"2001","journal-title":"Biochemistry"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"11969","DOI":"10.1073\/pnas.0701979104","volume":"104","author":"Touw D. S.","year":"2007","journal-title":"Proc. Natl. Acad. Sci., U.S.A."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"10875","DOI":"10.1021\/ic8009817","volume":"47","author":"Luczkowski M.","year":"2008","journal-title":"Inorg. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"8042","DOI":"10.1021\/ja017520u","volume":"124","author":"Matzapetakis M.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"9178","DOI":"10.1021\/ja048839s","volume":"126","author":"Lee K. H.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"2864","DOI":"10.1002\/anie.200504548","volume":"45","author":"Lee K.-H.","year":"2006","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"16566","DOI":"10.1073\/pnas.0806792105","volume":"105","author":"Peacock A. F. A.","year":"2008","journal-title":"Proc. Natl. Acad. Sci., U.S.A."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"6688","DOI":"10.1002\/anie.200701729","volume":"46","author":"Iranzo O.","year":"2007","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref37\/cit37","volume-title":"The PyMOL Molecular Graphics System, DeLano Scientific","author":"DeLano W. L.","year":"2005"},{"key":"ref38\/cit38","unstructured":"Nomenclature: While previously describing in detail the nomenclature for peptide modifications, we have not fully provided descriptors for metal complexation to these peptides. We will provide these definitions here with respect to Cd(II) and the exogenous ligand water; however, the nomenclature is general for any metal or non-protein bound ligand. We refer to an \u201capo peptide\u201d as one which does not have metal in the designed metal coordination site within the hydrophobic interior of the coiled coils. We do not refer to an \u201capo peptide\u201d to represent situations without the presence of any cofactors. Metals that may be bound non-specifically to the exterior hydrophilic residues are not considered to be metallated proteins\/peptides in this context. Cd(II)(TRIL16C)3\u2212indicates that Cd(II) is bound to the three stranded coiled coil; however, the metal coordination environment is either unknown or is a mixture of species (e.g., Cd(II)(TRIL16C)3\u2212contains a 55:45 mixture of CdS3O and CdS3, respectively). When the metal is placed within brackets, as in [Cd(II)(H2O)](TRIL12AL16C)3\u2212, we specify the coordination environment (in this case CdS3O) and the possible exogenous ligand (here water). If the site has only protein ligands, then it would be represented as [Cd(II)](TRIL16Pen)3\u2212. At low pH, one can encounter the situation where the cysteine sulfurs are protonated and may, or may not, be directly coordinated to the metal. In this case, we indicate this situation as [Cd(II)](TRIL16Pen[S,(SH)2])3\u2212in which one cysteine is bound as a thiolate and the remaining two cysteines are protonated. When a peptide contains more than one binding site, we use the above nomenclature, but specify which site is being discussed by adding a superscript outside of the bracket to indicate the amino acid residues coordinating the specific metal (e.g. [Cd(II)]16[Cd(II)(H2O)]30(GRANDL16PenL26AL30C)3\u22122). Finally, for cases where dual site peptides exhibit specificity for metal complexation, we will utilize [apo] to designate an empty site (e.g. [apo]16[Cd(II)(H2O)]30(GRANDL16PenL26AL30C)3\u2212)."},{"key":"ref39\/cit39","volume-title":"Fmoc Solid Phase Peptide Synthesis: A Practical Approach","author":"Chan W. C.","year":"2000"},{"key":"ref40\/cit40","first-page":"597","volume":"266","author":"Mantle M.","year":"1990","journal-title":"Biochem. J."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"876","DOI":"10.1007\/s00775-006-0140-7","volume":"11","author":"Matzapetakis M.","year":"2006","journal-title":"J. Biol. Inorg. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"3761","DOI":"10.1002\/chem.200802105","volume":"15","author":"Iranzo O.","year":"2009","journal-title":"Chem.\u2014Eur. J."},{"key":"ref43\/cit43","volume-title":"Protein Structure: A Practical Approach","author":"Pace C. N.","year":"1997"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"14480","DOI":"10.1021\/bi961831d","volume":"35","author":"Boice J. A.","year":"1996","journal-title":"Biochemistry"},{"key":"ref45\/cit45","unstructured":"Cobas, C., Cruces, J., and Sardina, F. J.MestRe-C,2.3ed.Universidad de Santiago de Compostela,Spain, 2000."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","DOI":"10.1063\/1.438208","volume":"71","author":"Jeener J.","year":"1979","journal-title":"J. Chem. Phys."},{"key":"ref47\/cit47","first-page":"337","volume":"21","author":"Hoult D. I.","year":"1976","journal-title":"J. Magn. Reson."},{"key":"ref48\/cit48","first-page":"557","volume":"74","author":"Rance M.","year":"1987","journal-title":"J. Magn. Reson."},{"key":"ref49\/cit49","volume-title":"MestReNova","year":"2009","edition":"6"},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"7145","DOI":"10.1021\/bi00021a028","volume":"34","author":"Hemmingsen L.","year":"1995","journal-title":"Biochemistry"},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"546","DOI":"10.1111\/j.1432-1033.1996.00546.x","volume":"241","author":"Hemmingsen L.","year":"1996","journal-title":"Eur. J. Biochem."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"18229","DOI":"10.1021\/ja055433m","volume":"127","author":"Matzapetakis M.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"14023","DOI":"10.1021\/ja047945r","volume":"126","author":"Tanaka T.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"6298","DOI":"10.1073\/pnas.97.12.6298","volume":"97","author":"Lombardi A.","year":"2000","journal-title":"Proc. Natl. Acad. Sci., U.S.A."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"923","DOI":"10.1016\/S0022-2836(02)00589-2","volume":"321","author":"Summa C. M.","year":"2002","journal-title":"J. Mol. Biol."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1002\/prot.21113","volume":"65","author":"Spiegel K.","year":"2006","journal-title":"Proteins: Struct., Funct., Bioinf."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"7371","DOI":"10.1002\/anie.200902166","volume":"48","author":"Peacock A. F. A.","year":"2009","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"13240","DOI":"10.1021\/ja101812c","volume":"132","author":"Chakraborty S.","year":"2010","journal-title":"J. Am. Chem. Soc."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"1288","DOI":"10.1126\/science.8446897","volume":"259","author":"Lovejoy B.","year":"1993","journal-title":"Science"}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ja104433n","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,7]],"date-time":"2023-04-07T22:27:43Z","timestamp":1680906463000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ja104433n"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,12,16]]},"references-count":59,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2011,1,19]]}},"alternative-id":["10.1021\/ja104433n"],"URL":"https:\/\/doi.org\/10.1021\/ja104433n","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,12,16]]}}}