› 3u18

X-ray diffraction
1.9Å resolution

Chicago Sky Blue 6B, A Novel Inhibitor for Macrophage Migration Inhibitory Factor

Released:
DOI: 10.2210/pdb3u18/pdb
PDB entry 3u18 coloured by chain, front view.
PDB entry 3u18 coloured by chain, side view.
PDB entry 3u18 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A novel allosteric inhibitor of macrophage migration inhibitory factor (MIF).
Bai F, Asojo OA, Cirillo P, Ciustea M, Ledizet M, Aristoff PA, Leng L, Koski RA, Powell TJ, Bucala R, Anthony KG
J Biol Chem 287 30653-63 (2012)
PMID: 22782901

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: 114 amino acids
Theoretical weight: 12.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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

6 bound ligands:
Ligand Y0X 1 x Y0X
Ligand IPA 4 x IPA
Ligand GOL 9 x GOL
Ligand EDO 3 x EDO
Ligand NA 4 x NA
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION ENHANCE ULTRA
Spacegroup: P212121
Unit cell:
a: 67.857Å b: 67.907Å c: 86.572Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.143 0.141 0.177
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Targeting MIF in Cancer: Therapeutic Strategies, Current Developments, and Future Opportunities.
O'Reilly et al. (2016)
11 more

3 mentions without citation

A novel allosteric inhibitor of macrophage migration inhibitory factor (MIF).
Bai et al. (2012)
2 more