› 3jtu

X-ray diffraction
1.86Å resolution

Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution

Released:
DOI: 10.2210/pdb3jtu/pdb
PDB entry 3jtu coloured by chain, front view.
PDB entry 3jtu coloured by chain, side view.
PDB entry 3jtu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
McLean LR, Zhang Y, Li H, Li Z, Lukasczyk U, Choi YM, Han Z, Prisco J, Fordham J, Tsay JT, Reiling S, Vaz RJ, Li Y
Bioorg Med Chem Lett 19 6717-20 (2009)
PMID: 19836948

Function and Biology Details

Reactions catalysed: 
Keto-phenylpyruvate = enol-phenylpyruvate
L-dopachrome = 5,6-dihydroxyindole-2-carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146863 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Macrophage migration inhibitory factor Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 122 amino acids
Theoretical weight: 13.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P14174 (Residues: 2-115; Coverage: 99%)
Gene names: GLIF, MIF, MMIF
Sequence domains: Macrophage migration inhibitory factor (MIF)
Structure domains: Macrophage Migration Inhibitory Factor

Ligands and Environments

2 bound ligands:
Ligand ZIN 3 x ZIN
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 67.494Å b: 67.431Å c: 88.74Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.192
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Biophysical Survey of Small-Molecule β-Catenin Inhibitors: A Cautionary Tale.
McCoy et al. (2022)
18 other articles

1 mention without citation

Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Pantouris et al. (2020)