Crystal structure of Spindlin1 in complex with the inhibitor MS31

Summary for 6QPL

DescriptorSpindlin-1, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... (8 entities in total)
Functional Keywordsepigenetics, tudor domain, methyl-lysine, methyl-arginine, cell cycle
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight26495.97
Johansson, C.,Krojer, T.,Xiong, Y.,Jin, J.,Arrowsmith, C.H.,Bountra, C.,Edwards, A.,Oppermann, U.C.T. (deposition date: 2019-02-14, release date: 2019-07-17, Last modification date: 2019-11-06)
Primary citation
Xiong, Y.,Greschik, H.,Johansson, C.,Seifert, L.,Bacher, J.,Park, K.S.,Babault, N.,Martini, M.,Fagan, V.,Li, F.,Chau, I.,Christott, T.,Dilworth, D.,Barsyte-Lovejoy, D.,Vedadi, M.,Arrowsmith, C.H.,Brennan, P.,Fedorov, O.,Jung, M.,Farnie, G.,Liu, J.,Oppermann, U.,Schule, R.,Jin, J.
Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62:8996-9007, 2019
PubMed: 31260300 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00522
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20830 1.2% 8.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report