› 6tak

X-ray diffraction
1.25Å resolution

Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid and Sulfate at 1.25 Angstrom resolution

Released:
DOI: 10.2210/pdb6tak/pdb
PDB entry 6tak coloured by chain, front view.
PDB entry 6tak coloured by chain, side view.
PDB entry 6tak 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 (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
UniProt:
  • Canonical: P0A7E3 (Residues: 1-213; Coverage: 100%)
Gene names: JW3617, b3642, pyrE
Sequence domains: Phosphoribosyl transferase domain

Ligands and Environments

3 bound ligands:
Ligand ORO 2 x ORO
Ligand GOL 6 x GOL
Ligand SO4 9 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P212121
Unit cell:
a: 53.658Å b: 69.469Å c: 104.383Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.206
Expression system: Escherichia coli BL21

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