5J7P

Macrophage Migration Inhibitory Factor bound to Covalent Inhibitor RDR03785

Summary for 5J7P

• Entry DOI: 10.2210/pdb5j7p/pdb
• Related: 5J7Q
• Descriptor: Macrophage migration inhibitory factor, 6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol, SULFATE ION, ... (6 entities in total)
• Functional Keywords: isomerase, isomerase inhibitor, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Secreted : P14174
• Total number of polymer chains: 3
• Total formula weight: 39022.80

Authors

Robertson, M.J.,Jorgensen, W.L. (deposition date: 2016-04-06, release date: 2016-05-04, Last modification date: 2024-11-13)

Primary citation

Cisneros, J.A.,Robertson, M.J.,Valhondo, M.,Jorgensen, W.L.
Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Bioorg.Med.Chem.Lett., 26:2764-2767, 2016

PubMed Abstract: Inhibitors of human macrophage migration inhibitory factor (MIF) previously reported in the literature have been reexamined by synthesis, assaying for tautomerase activity, and protein crystallography. Substantial inconsistencies between prior and current assay results are noted. They appear to arise from difficulties with the tautomerase substrates, solubility issues, and especially covalent inhibition. Incubation time variation shows that 3, 4, 6, and 9 are covalent or slow-binding inhibitors. Two protein crystal structures are provided; one confirms that the twice-discovered 3 is a covalent inhibitor.

PubMed: 27156768
DOI: 10.1016/j.bmcl.2016.04.074

Experimental method

X-RAY DIFFRACTION (1.85 Å)