› 5j7p

X-ray diffraction
1.85Å resolution

Macrophage Migration Inhibitory Factor bound to Covalent Inhibitor RDR03785

Released:
DOI: 10.2210/pdb5j7p/pdb
PDB entry 5j7p coloured by chain, front view.
PDB entry 5j7p coloured by chain, side view.
PDB entry 5j7p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Cisneros JA, Robertson MJ, Valhondo M, Jorgensen WL
Bioorg Med Chem Lett 26 2764-2767 (2016)
PMID: 27156768

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

4 bound ligands:
Ligand 6H1 3 x 6H1
Ligand SO4 7 x SO4
Ligand IPA 2 x IPA
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P3121
Unit cell:
a: 95.629Å b: 95.629Å c: 103.497Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.18 0.178 0.201
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Small-molecule inhibitors of macrophage migration inhibitory factor (MIF) as an emerging class of therapeutics for immune disorders.
Kok et al. (2018)
11 other articles