› 6taj

X-ray diffraction
1.6Å resolution

Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid 1.60 Angstrom resolution

Released:
DOI: 10.2210/pdb6taj/pdb
PDB entry 6taj coloured by chain, front view.
PDB entry 6taj coloured by chain, side view.
PDB entry 6taj coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations
Roca M, Navas-Yuste S, Zinovjev K, Lopez-Estepa M, Gomez S, Fernandez FJ, Vega MC, Tunon I
ACS Catalysis 10 1871-1885 (2020)

Function and Biology Details

Reaction catalysed: 
Orotidine 5'-phosphate + diphosphate = orotate + 5-phospho-alpha-D-ribose 1-diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141588 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Orotate phosphoribosyltransferase Chains: AAA, BBB
Molecule details ›
Chains: AAA, BBB
Length: 213 amino acids
Theoretical weight: 23.59 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A7E3 (Residues: 1-213; Coverage: 100%)
Gene names: JW3617, b3642, pyrE
Sequence domains: Phosphoribosyl transferase domain

Ligands and Environments

2 bound ligands:
Ligand ORO 2 x ORO
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P41212
Unit cell:
a: 83.118Å b: 83.118Å c: 122.787Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.195 0.223
Expression system: Escherichia coli BL21(DE3)

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