Brand  (β version)

PDB ID: 3WNS

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Ligands
Code Name Style Show Link
9AI N-prop-2-en-1-ylthioformamide PoSSuM
CL Chloride ion PoSSuM
GOL Glycerol PoSSuM
IPA Isopropyl alcohol PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3WNS   PDBj   RCSB PDB   PDBe
Header : ISOMERASE/ISOMERASE INHIBITOR
Title : Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Release Data : 2014-03-05
Compound :
mol_id molecule chains synonym
1 Macrophage migration inhibitory factor A,B,C MIF, Glycosylation-inhibiting factor, GIF, L-dopachrome isomerase, L-dopachrome tautomerase, Phenylpyruvate tautomerase
ec: 5.3.2.1, 5.3.3.12
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: GLIF, MIF, MMIF
expression_system_strain: BL21(DE3)
expression_system_vector_type: Plasmid
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.
Keywords : Cytokine, Tautomerase, isomerase, Allyl isothiocyante, ISOMERASE-ISOMERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.6580 Å )
Citation :

Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor

Spencer, E.S.,Dale, E.J.,Gommans, A.L.  et al.
(2015)  Eur.J.Med.Chem.  93 : 501 - 510

PubMed: 25743213
DOI: 10.1016/j.ejmech.2015.02.012

Reaction

Chain : A, B, C
UniProt : P14174 (MIF_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
3-phenylpyruvate = enol-phenylpyruvate 5.3.2.1 PubMed:11439086
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L-dopachrome = 5,6-dihydroxyindole-2-carboxylate 5.3.3.12 PubMed:17526494
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