3JTU

Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution

Summary for 3JTU

Entry DOI	10.2210/pdb3jtu/pdb
Related	3JSF 3JSG
Descriptor	Macrophage migration inhibitory factor, 7-(pyridin-2-ylmethyl)quinolin-8-ol, SULFATE ION, ... (4 entities in total)
Functional Keywords	protein-ligand complex, cytokine, cytoplasm, immune response, inflammatory response, innate immunity, isomerase, secreted, phosphoprotein
Biological source	Homo sapiens (human)
Cellular location	Secreted : P14174
Total number of polymer chains	3
Total formula weight	41179.56
Authors	Mclean, L.,Zhang, Y. (deposition date: 2009-09-14, release date: 2009-11-10, Last modification date: 2024-10-09)
Primary citation	McLean, L.R.,Zhang, Y.,Li, H.,Li, Z.,Lukasczyk, U.,Choi, Y.M.,Han, Z.,Prisco, J.,Fordham, J.,Tsay, J.T.,Reiling, S.,Vaz, R.J.,Li, Y. Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening. Bioorg.Med.Chem.Lett., 19:6717-6720, 2009 Cited by PubMed Abstract: Biochemical and X-ray crystallographic studies confirmed that hydroxyquinoline derivatives identified by virtual screening were actually covalent inhibitors of the MIF tautomerase. Adducts were formed by N-alkylation of the Pro-1 at the catalytic site with a loss of an amino group of the inhibitor. PubMed: 19836948 DOI: 10.1016/j.bmcl.2009.09.106 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.86 Å)

Structure validation