› 3kan

X-ray diffraction
1.13Å resolution

D-dopachrome tautomerase (D-DT)/macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP

Released:
DOI: 10.2210/pdb3kan/pdb
PDB entry 3kan coloured by chain, front view.
PDB entry 3kan coloured by chain, side view.
PDB entry 3kan coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.
Rajasekaran D, Zierow S, Syed M, Bucala R, Bhandari V, Lolis EJ
FASEB J 28 4961-71 (2014)
PMID: 25016026

Function and Biology Details

Reaction catalysed: 
D-dopachrome = 5,6-dihydroxyindole + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151620 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-dopachrome decarboxylase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 117 amino acids
Theoretical weight: 12.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P30046 (Residues: 2-118; Coverage: 99%)
Gene name: DDT
Sequence domains: Macrophage migration inhibitory factor (MIF)
Structure domains: Macrophage Migration Inhibitory Factor

Ligands and Environments

2 bound ligands:
Ligand RW1 3 x RW1
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P3
Unit cell:
a: 83.286Å b: 83.286Å c: 40.303Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.112 0.112 0.129
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

5 mentions without citation

Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.
Rajasekaran et al. (2014)
4 more