› 4p7s

X-ray diffraction
2.87Å resolution

Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine

Released:
DOI: 10.2210/pdb4p7s/pdb
PDB entry 4p7s coloured by chain, front view.
PDB entry 4p7s coloured by chain, side view.
PDB entry 4p7s coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Crystallographic and receptor binding characterization of Plasmodium falciparum macrophage migration inhibitory factor complexed to two potent inhibitors.
Pantouris G, Rajasekaran D, Garcia AB, Ruiz VG, Leng L, Jorgensen WL, Bucala R, Lolis EJ
OpenAccess logo J Med Chem 57 8652-6 (2014)
PMID: 25268646

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

Assemblies composition:
homo trimer (preferred)
homo hexamer
Assembly name:
PDBe Complex ID:
PDB-CPX-180239 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
L-dopachrome isomerase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 114 amino acids
Theoretical weight: 12.67 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6Q3H7 (Residues: 2-115; Coverage: 98%)
Sequence domains: Macrophage migration inhibitory factor (MIF)
Structure domains: Macrophage Migration Inhibitory Factor

Ligands and Environments

1 bound ligand:
Ligand 2OK 2 x 2OK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: I222
Unit cell:
a: 79.554Å b: 80.138Å c: 97.663Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.29 0.287 0.345
Expression system: Escherichia coli

Quick links

Citations

3 review citations

The non-mammalian MIF superfamily.
Sparkes et al. (2017)
2 more

3 mentions without citation

Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments.
Nunes et al. (2019)
2 more