3WNR

Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor

Summary for 3WNR

Entry DOI	10.2210/pdb3wnr/pdb
Related	3WNS 3WNT 4OSF 4f2k
Descriptor	Macrophage migration inhibitory factor, N-benzylthioformamide, SULFATE ION, ... (6 entities in total)
Functional Keywords	cytokine, tautomerase, isomerae, benzyl isothiocyante, 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	38495.09
Authors	Spencer, E.S.,Dale, E.J.,Gommans, A.L.,Rutledge, M.T.,Gamble, A.B.,Smith, R.A.J.,Wilbanks, S.M.,Hampton, M.B.,Tyndall, J.D.A. (deposition date: 2013-12-16, release date: 2014-03-05, Last modification date: 2023-11-08)
Primary citation	Spencer, E.S.,Dale, E.J.,Gommans, A.L.,Rutledge, M.T.,Vo, C.T.,Nakatani, Y.,Gamble, A.B.,Smith, R.A.,Wilbanks, S.M.,Hampton, M.B.,Tyndall, J.D. Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93:501-510, 2015 Cited by PubMed: 25743213 DOI: 10.1016/j.ejmech.2015.02.012 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.008 Å)

Structure validation