Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T39977 Target Info
Target Name Macrophage migration inhibitory factor (MIF)
Synonyms Phenylpyruvate tautomerase; MMIF; L-dopachrome tautomerase; L-dopachrome isomerase; Glycosylation-inhibiting factor; GLIF; GIF
Target Type Clinical trial Target
Gene Name MIF
Biochemical Class Intramolecular oxidoreductase
UniProt ID
MIF_HUMAN
Ligand General Information  Top
Ligand Name 4-hydroxyphenylpyruvic acid Ligand Info
Canonical SMILES C1=CC(=CC=C1CC(=O)C(=O)O)O
InChI 1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
InChIKey KKADPXVIOXHVKN-UHFFFAOYSA-N
PubChem Compound ID 979
Drug Binding Sites of Target  Top
PDB ID: 3IJJ      Ternary Complex of Macrophage Migration Inhibitory Factor (MIF) Bound Both to 4-hydroxyphenylpyruvate and to the Allosteric Inhibitor AV1013 (R-stereoisomer)
Method X-ray diffraction Resolution 1.25 Å Mutation No [1]
PDB Sequence
PMFIVNTNVP
10
RASVPDGFLS
20
ELTQQLAQAT
30
GKPPQYIAVH
40
VVPDQLMAFG
50

GSSEPCALCS
60
LHSIGKIGGA
70
QNRSYSKLLC
80
GLLAERLRIS
90
PDRVYINYYD
100

MNAANVGWNN
110
STFA
Residue
Distance (Å)
PRO1
1.994
MET2
3.573
LYS32
2.650
TYR36
3.987
HIS62
3.018
Residue
Distance (Å)
SER63
3.201
ILE64
2.745
MET101
3.337
VAL106
3.939
PHE113
3.815
PDB ID: 1CA7      MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH HYDROXPHENYLPYRUVATE
Method X-ray diffraction Resolution 2.50 Å Mutation No [2]
PDB Sequence
PMFIVNTNVP
10
RASVPDGFLS
20
ELTQQLAQAT
30
GKPPQYIAVH
40
VVPDQLMAFG
50

GSSEPCALCS
60
LHSIGKIGGA
70
QNRSYSKLLC
80
GLLAERLRIS
90
PDRVYINYYD
100

MNAANVGWNN
110
STFA
Residue
Distance (Å)
PRO1
3.159
MET2
3.212
LYS32
2.592
TYR36
3.684
HIS62
3.185
Residue
Distance (Å)
SER63
3.383
ILE64
2.688
MET101
4.206
VAL106
3.590
PHE113
4.176
References  Top
REF 1 Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast. Proc Natl Acad Sci U S A. 2010 Jun 22;107(25):11313-8.
REF 2 Pro-1 of macrophage migration inhibitory factor functions as a catalytic base in the phenylpyruvate tautomerase activity. Biochemistry. 1999 Jun 1;38(22):7346-54.

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