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First, a homology model for the human S\u2010arrestin was built and validated by molecular dynamics, showing an average root mean square deviation difference from the pattern behavior of 0.76 \u00c5. Then, combining the human S\u2010arrestin model and the modeled structure of the two human rhodopsin forms, we propose two models of interaction for the human S\u2010arrestin\/rhodopsin complex. The models involve two S\u2010arrestin regions related to the N domain (residues 68\u201378; 170\u2013182) and a third constituent of the C domain (248\u2013253), with the rhodopsin C terminus (330\u2013348). Of the 22 single point mutations related to retinitis pigmentosa and congenital night blindness located in the cytoplasmatic portion of rhodopsin or in S\u2010arrestin, our models locate 16 in the interaction region and relate two others to possible dimer formation. Our calculations also predict that the light activated complex is more stable than the dark adapted rhodopsin and, therefore, of higher affinity to S\u2010arrestin. Proteins 2008. \u00a9 2008 Wiley\u2010Liss, Inc.<\/jats:p>","DOI":"10.1002\/prot.21873","type":"journal-article","created":{"date-parts":[[2008,1,3]],"date-time":"2008-01-03T15:48:01Z","timestamp":1199375281000},"page":"1133-1141","source":"Crossref","is-referenced-by-count":6,"title":["<i>In silico<\/i> study of the human rhodopsin and meta rhodopsin II\/S\u2010arrestin complexes: Impact of single point mutations related to retina degenerative diseases"],"prefix":"10.1002","volume":"70","author":[{"given":"Leonardo","family":"Mokarzel\u2010Falc\u00f3n","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Juan Alexander","family":"Padr\u00f3n\u2010Garc\u00eda","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ram\u00f3n","family":"Carrasco\u2010Velar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Colin","family":"Berry","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Luis A.","family":"Montero\u2010Cabrera","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2008,1,3]]},"reference":[{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0014-5793(04)00226-1"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-291X(03)00328-0"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biophys.32.110601.142520"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M308834200"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/bi982643l"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(03)74554-8"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1046\/j.1432-1033.2002.03071.x"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/bi034586o"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0014-5793(04)00194-2"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1046\/j.1471-4159.2003.01598.x"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M007159200"},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M206951200"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.20204"},{"key":"e_1_2_6_15_2","first-page":"3124","article-title":"Novel rhodopsin mutations Gly114Val and Gln184Pro in dominant retinitis pigmentosa","volume":"41","author":"Dryja TP","year":"2000","journal-title":"Invest Ophthalmol Vis Sci"},{"key":"e_1_2_6_16_2","first-page":"665","article-title":"Evaluation of the human arrestin gene in patients with retinitis pigmentosa and stationary night blindness","volume":"39","author":"Sippel KC","year":"1998","journal-title":"Invest Ophthalmol Vis Sci"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1038\/36147"},{"key":"e_1_2_6_18_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0092-8674(00)80735-7"},{"key":"e_1_2_6_19_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-0134(19990501)35:2<133::AID-PROT1>3.0.CO;2-N"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(05)80360-2"},{"key":"e_1_2_6_21_2","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2000.4042"},{"key":"e_1_2_6_22_2","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkg520"},{"key":"e_1_2_6_23_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20303"},{"key":"e_1_2_6_24_2","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(90)80070-V"},{"key":"e_1_2_6_25_2","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360221211"},{"key":"e_1_2_6_26_2","doi-asserted-by":"publisher","DOI":"10.1002\/elps.1150181505"},{"key":"e_1_2_6_27_2","volume-title":"The PyMOL molecular graphics system","author":"DeLano WL","year":"2002"},{"key":"e_1_2_6_28_2","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"e_1_2_6_29_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.96.15.8477"},{"key":"e_1_2_6_30_2","first-page":"720","article-title":"Arrestin interactions with G protein\u2010coupled receptors. 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