5X1W

PKM2 in complex with compound 5

Summary for 5X1W

Related5X1V
DescriptorPyruvate kinase PKM, BETA-FRUCTOSE-1,6-DIPHOSPHATE, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, ... (4 entities in total)
Functional Keywordsactivator, complex, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P14618
Total number of polymer chains4
Total molecular weight242801.49
Authors
Matsui, Y.,Hanzawa, H. (deposition date: 2017-01-27, release date: 2017-05-31)
Primary citation
Matsui, Y.,Yasumatsu, I.,Asahi, T.,Kitamura, T.,Kanai, K.,Ubukata, O.,Hayasaka, H.,Takaishi, S.,Hanzawa, H.,Katakura, S.
Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25:3540-3546, 2017
PubMed: 28511909 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2017.05.004
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.26800.2%4.5%0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report