Haddock model of mSIN3B PAH1 domain

Summary for 5Y95

DescriptorPaired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate (2 entities in total)
Functional Keywordshaddock model, complex, gene regulation
Biological sourceMus musculus (Mouse)
Cellular locationNucleus  Q62141
Total number of polymer chains1
Total molecular weight9079.18
Kurita, J.,Hirao, Y.,Nishimura, Y. (deposition date: 2017-08-22, release date: 2017-10-04, Last modification date: 2017-12-06)
Primary citation
Ueda, H.,Kurita, J.I.,Neyama, H.,Hirao, Y.,Kouji, H.,Mishina, T.,Kasai, M.,Nakano, H.,Yoshimori, A.,Nishimura, Y.
A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models.
Bioorg. Med. Chem. Lett., 27:4705-4709, 2017
PubMed: 28927787 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2017.09.006
MImport into Mendeley
Experimental method
NMR Information

Structure validation

ClashscoreRamachandran outliersSidechain outliers40.3%8.5%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures
Download full validation report