6B1C

Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a)

Summary for 6B1C

Related6B1K 6B2C
DescriptorMacrophage migration inhibitory factor, SULFATE ION, 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, ... (4 entities in total)
Functional Keywordscd74 binding, tautomerase, inhibitor, complex, isomerase-isomerase inhibitor complex, isomerase, isomerase/isomerase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains3
Total molecular weight38124.04
Authors
Krimmer, S.G.,Robertson, M.J.,Jorgensen, W.L. (deposition date: 2017-09-18, release date: 2018-01-03, Last modification date: 2020-01-01)
Primary citation
Dawson, T.K.,Dziedzic, P.,Robertson, M.J.,Cisneros, J.A.,Krimmer, S.G.,Newton, A.S.,Tirado-Rives, J.,Jorgensen, W.L.
Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8:1287-1291, 2017
PubMed: 29259749 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.7b00384
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.163 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.253100.8%0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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