4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor

Summary for 4OSF

Related3WNS 3WNR 3WNT
DescriptorMacrophage migration inhibitory factor, N-[2-(4-hydroxyphenyl)ethyl]thioformamide, SULFATE ION, ... (6 entities in total)
Functional Keywordscytokine, tautomerase, isomerase, benzyl isothiocyante, 4-(2-isothiocyanatoethyl)phenol, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationSecreted P14174
Total number of polymer chains3
Total molecular weight38892.69
Spencer, E.S.,Dale, E.J.,Gommans, A.L.,Vo, C.T.,Rutledge, M.T.,Nakatani, Y.,Gamble, A.B.,Smith, R.A.J.,Wilbanks, S.M.,Hampton, M.B.,Tyndall, J.D.A. (deposition date: 2014-02-12, release date: 2014-03-12, Last modification date: 2015-04-01)
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
PubMed: 25743213 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2015.02.012
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2272004.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution