› 3acl

X-ray diffraction
2.35Å resolution

Crystal Structure of Human Pirin in complex with Triphenyl Compound

Released:
DOI: 10.2210/pdb3acl/pdb
PDB entry 3acl coloured by chain, front view.
PDB entry 3acl coloured by chain, side view.
PDB entry 3acl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A small-molecule inhibitor shows that pirin regulates migration of melanoma cells.
Miyazaki I, Simizu S, Okumura H, Takagi S, Osada H
Nat Chem Biol 6 667-73 (2010)
PMID: 20711196

Function and Biology Details

Reaction catalysed: 
Quercetin + O(2) = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H(+)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126365 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pirin Chain: A
Molecule details ›
Chain: A
Length: 296 amino acids
Theoretical weight: 32.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O00625 (Residues: 2-290; Coverage: 100%)
Gene name: PIR
Sequence domains:
Structure domains: Jelly Rolls

Ligands and Environments

2 bound ligands:
Ligand FE2 1 x FE2
Ligand 3F1 1 x 3F1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B2
Spacegroup: P212121
Unit cell:
a: 42.343Å b: 67.415Å c: 107.785Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.203 0.246
Expression system: Escherichia coli BL21

Quick links

Citations

11 review citations

It takes two to tango: IκBs, the multifunctional partners of NF-κB.
Hinz et al. (2012)
10 more