› 7ojm

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS

Released:
DOI: 10.2210/pdb7ojm/pdb
PDB entry 7ojm coloured by chain, front view.
PDB entry 7ojm coloured by chain, side view.
PDB entry 7ojm coloured by chain, top view.
Source organism: Paenarthrobacter nitroguajacolicus
Primary publication:
Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold.
Bui S, Gil-Guerrero S, van der Linden P, Carpentier P, Ceccarelli M, Jambrina PG, Steiner RA
Chem Sci 14 10547-10560 (2023)
PMID: 37799987

Function and Biology Details

Reaction catalysed: 
3-hydroxy-2-methyl-1H-quinolin-4-one + O(2) = N-acetylanthranilate + CO
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128278 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase Chains: AAA, BBB
Molecule details ›
Chains: AAA, BBB
Length: 288 amino acids
Theoretical weight: 33.22 KDa
Source organism: Paenarthrobacter nitroguajacolicus
Expression system: Escherichia coli
UniProt:
  • Canonical: O31266 (Residues: 1-276; Coverage: 100%)
Gene names: ARUE_113p00080, hod, meqE, pAL1.008
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

5 bound ligands:
Ligand VFH 2 x VFH
Ligand K 3 x K
Ligand GOL 3 x GOL
Ligand SRT 4 x SRT
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
R-values:
R R work R free
0.206 0.204 0.237
Expression system: Escherichia coli

Quick links