› 7x69

X-ray diffraction
1.8Å resolution

Crystal structure of AtHPPD-Y191053 complex

Released:
DOI: 10.2210/pdb7x69/pdb
PDB entry 7x69 coloured by chain, front view.
PDB entry 7x69 coloured by chain, side view.
PDB entry 7x69 coloured by chain, top view.
Source organism: Arabidopsis thaliana
Primary publication:
Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
Dong J, Dong J, Yu XH, Yan YC, Nan JX, Ye BQ, Yang WC, Lin HY, Yang GF
J Agric Food Chem 71 1170-1177 (2023)
PMID: 36599124

Function and Biology Details

Reaction catalysed: 
4-hydroxyphenylpyruvate + O(2) = homogentisate + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161093 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-hydroxyphenylpyruvate dioxygenase Chain: A
Molecule details ›
Chain: A
Length: 417 amino acids
Theoretical weight: 45.95 KDa
Source organism: Arabidopsis thaliana
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: P93836 (Residues: 33-445; Coverage: 93%)
Gene names: At1g06570, F12K11.9, HPD, PDS1
Sequence domains: Glyoxalase/Bleomycin resistance protein/Dioxygenase superfamily

Ligands and Environments

2 bound ligands:
Ligand CO 1 x CO
Ligand 9ZO 1 x 9ZO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2
Unit cell:
a: 76.546Å b: 83.658Å c: 61.535Å
α: 90° β: 99.98° γ: 90°
R-values:
R R work R free
0.175 0.174 0.196
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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