Yeast 20S proteasome in complex with the vinyl sulfone LU112

Summary for 4INU

Related1RYP 4INR 4INT
Related PRD IDPRD_000993
DescriptorProteasome component Y7, Proteasome component Y13, Proteasome component PRE6, ... (16 entities in total)
Functional Keywordsups, drug discovery, irreversible inhibition, ntn hydrolase, non-lysosomal protein breakdown, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceSaccharomyces cerevisiae (Baker's yeast)
Cellular locationCytoplasm P23639 P23638 P40303 P32379 P40302 P21242 P21243 P25043 P25451 P22141 P30656 P23724 P30657 P38624
Total number of polymer chains28
Total molecular weight731415.61
Primary citation
Geurink, P.P.,van der Linden, W.A.,Mirabella, A.C.,Gallastegui, N.,de Bruin, G.,Blom, A.E.,Voges, M.J.,Mock, E.D.,Florea, B.I.,van der Marel, G.A.,Driessen, C.,van der Stelt, M.,Groll, M.,Overkleeft, H.S.,Kisselev, A.F.
Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56:1262-1275, 2013
PubMed: 23320547 (PDB entries with the same primary citation)
DOI: 10.1021/jm3016987
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24830.3%2.7%2.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4inu
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Molmil generated image of 4inu
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Molmil generated image of 4inu
rotated about y axis by 90°