› 4oyq

X-ray diffraction
1.7Å resolution

(6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor

Released:
DOI: 10.2210/pdb4oyq/pdb
PDB entry 4oyq coloured by chain, front view.
PDB entry 4oyq coloured by chain, side view.
PDB entry 4oyq coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Spencer ES, Dale EJ, Gommans AL, Vo CT, Rutledge MT, Nakatani Y, Gamble AB, Smith RAJ, Wilbanks SM, Hampton MB, Tyndall JDA

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 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

3 bound ligands:
Ligand 1X2 3 x 1X2
Ligand SO4 4 x SO4
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P212121
Unit cell:
a: 67.69Å b: 67.69Å c: 88.77Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.174 0.195
Expression system: Escherichia coli BL21(DE3)

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