› 4z12

X-ray diffraction
1.85Å resolution

Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI)

Released:
DOI: 10.2210/pdb4z12/pdb
PDB entry 4z12 coloured by chain, front view.
PDB entry 4z12 coloured by chain, side view.
PDB entry 4z12 coloured by chain, top view.
Source organism: Coreopsis grandiflora
Primary publication:
Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.
Molitor C, Mauracher SG, Rompel A
Proc Natl Acad Sci U S A 113 E1806-15 (2016)
PMID: 26976571

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100470 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosinase copper-binding domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 520 amino acids
Theoretical weight: 59.33 KDa
Source organism: Coreopsis grandiflora
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A075DN54 (Residues: 86-602; Coverage: 86%)
Sequence domains:
Structure domains: Di-copper center containing domain from catechol oxidase

Ligands and Environments

5 bound ligands:
Ligand CU 4 x CU
Ligand GOL 4 x GOL
Ligand TEW 2 x TEW
Ligand W 7 x W
Ligand TE 1 x TE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P21
Unit cell:
a: 52.99Å b: 110.41Å c: 94.99Å
α: 90° β: 95.76° γ: 90°
R-values:
R R work R free
0.173 0.172 0.205
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Chalcone: A Privileged Structure in Medicinal Chemistry.
Zhuang et al. (2017)
12 more

4 mentions without citation

Plant Copper Metalloenzymes As Prospects for New Metabolism Involving Aromatic Compounds.
Mydy et al. (2021)
3 more