› 4cwd

X-ray diffraction
1.9Å resolution

CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE

Released:
DOI: 10.2210/pdb4cwd/pdb
PDB entry 4cwd coloured by chain, front view.
PDB entry 4cwd coloured by chain, side view.
PDB entry 4cwd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids.
Rydzik AM, Leung IK, Kochan GT, McDonough MA, Claridge TD, Schofield CJ
Angew Chem Int Ed Engl 53 10925-7 (2014)
PMID: 25164544

Function and Biology Details

Reaction catalysed: 
4-trimethylammoniobutanoate + 2-oxoglutarate + O(2) = 3-hydroxy-4-trimethylammoniobutanoate + succinate + 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-131180 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Gamma-butyrobetaine dioxygenase Chain: A
Molecule details ›
Chain: A
Length: 388 amino acids
Theoretical weight: 44.86 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: O75936 (Residues: 1-387; Coverage: 100%)
Gene names: BBH, BBOX, BBOX1
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand NI 1 x NI
Ligand ZN 1 x ZN
Ligand 449 1 x 449
Ligand OGA 1 x OGA
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: R32
Unit cell:
a: 106.518Å b: 106.518Å c: 205.347Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.167 0.206
Expression system: Trichoplusia ni

Quick links

Citations

1 review citation

Adventures in Defining Roles of Oxygenases in the Regulation of Protein Biosynthesis.
Walport et al. (2018)
5 other articles

1 mention without citation

Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids.
Rydzik et al. (2014)