Brand  (β version)

PDB ID: 6B2C

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Ligands
Code Name Style Show Link
C9Y {2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8h)-yl}acetic acid PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 6B2C   PDBj   RCSB PDB   PDBe
Header : ISOMERASE/ISOMERASE inhibitor
Title : Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b)
Release Data : 2018-01-03
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: MIF, GLIF, MMIF
expression_system_cell: BL21
expression_system_vector_type: Plasmid
expression_system_plasmid: PET11B
Authors : Krimmer, S.G., Robertson, M.J., Jorgensen, W.L.
Keywords : CD74 BINDING, TAUTOMERASE, INHIBITOR, COMPLEX, ISOMERASE-ISOMERASE INHIBITOR COMPLEX, ISOMERASE
Exp. method : X-RAY DIFFRACTION ( 2.0 Å )
Citation :

Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.

Dawson, T.K.,Dziedzic, P.,Robertson, M.J.  et al.
(2017)  ACS Med Chem Lett  8 : 1287 - 1291

PubMed: 29259749
DOI: 10.1021/acsmedchemlett.7b00384

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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