› 1d7a

X-ray diffraction
2.5Å resolution

CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX.

Released:
DOI: 10.2210/pdb1d7a/pdb
PDB entry 1d7a coloured by chain, front view.
PDB entry 1d7a coloured by chain, side view.
PDB entry 1d7a coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Mathews II, Kappock TJ, Stubbe J, Ealick SE
Structure 7 1395-406 (1999)
PMID: 10574791

Function and Biology Details

Reaction catalysed: 
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole = 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142778 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
N5-carboxyaminoimidazole ribonucleotide mutase Chains: A, B, C, D, L, M, N, O
Molecule details ›
Chains: A, B, C, D, L, M, N, O
Length: 161 amino acids
Theoretical weight: 17.11 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AG18 (Residues: 7-167; Coverage: 95%)
Gene names: JW0512, b0523, purE
Sequence domains: AIR carboxylase
Structure domains: Rossmann fold

Ligands and Environments

1 bound ligand:
Ligand AIR 4 x AIR
1 modified residue:
Ligand MSE 32 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: P212121
Unit cell:
a: 86.92Å b: 94.55Å c: 149.96Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.203 0.239
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Structural biology of the purine biosynthetic pathway.
Zhang et al. (2008)
23 other articles

3 mentions without citation

Fragment-based drug discovery using a multidomain, parallel MD-MM/PBSA screening protocol.
Zhu et al. (2013)
2 more