› 4fe2

X-ray diffraction
2.29Å resolution

X-Ray Structure of SAICAR Synthetase (PurC) from Streptococcus pneumoniae complexed with AIR, ADP, Asp and Mg2+

Released:
DOI: 10.2210/pdb4fe2/pdb
PDB entry 4fe2 coloured by chain, front view.
PDB entry 4fe2 coloured by chain, side view.
PDB entry 4fe2 coloured by chain, top view.
Source organism: Streptococcus pneumoniae
Primary publication:
Structures of SAICAR synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg2+, AIR and Asp.
Wolf NM, Abad-Zapatero C, Johnson ME, Fung LW
Acta Crystallogr D Biol Crystallogr 70 841-50 (2014)
PMID: 24598753

Function and Biology Details

Reaction catalysed: 
ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170453 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphoribosylaminoimidazole-succinocarboxamide synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 255 amino acids
Theoretical weight: 29.21 KDa
Source organism: Streptococcus pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q07296 (Residues: 1-235; Coverage: 100%)
Gene names: SP_0044, purC
Sequence domains: SAICAR synthetase
Structure domains:

Ligands and Environments

7 bound ligands:
Ligand AIR 2 x AIR
Ligand ADP 2 x ADP
Ligand MG 2 x MG
Ligand 144 4 x 144
Ligand CL 1 x CL
Ligand ASP 1 x ASP
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P21
Unit cell:
a: 46.074Å b: 65.021Å c: 86.052Å
α: 90° β: 92.09° γ: 90°
R-values:
R R work R free
0.201 0.196 0.284
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Fragment-Based Lead Discovery Strategies in Antimicrobial Drug Discovery.
Konaklieva et al. (2023)
5 other articles

1 mention without citation

Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
Škerlová et al. (2020)