› 6f48

X-ray diffraction
1.5Å resolution

Structure of quinolinate synthase with reaction intermediates X and Y

Released:
DOI: 10.2210/pdb6f48/pdb
PDB entry 6f48 coloured by chain, front view.
PDB entry 6f48 coloured by chain, side view.
PDB entry 6f48 coloured by chain, top view.
Source organism: Thermotoga maritima
Primary publication:
Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
Volbeda A, Saez Cabodevilla J, Darnault C, Gigarel O, Han TH, Renoux O, Hamelin O, Ollagnier-de-Choudens S, Amara P, Fontecilla-Camps JC
ACS Chem Biol 13 1209-1217 (2018)
PMID: 29641168

Function and Biology Details

Reaction catalysed: 
Glycerone phosphate + iminosuccinate = pyridine-2,3-dicarboxylate + 2 H(2)O + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-194851 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Quinolinate synthase Chain: A
Molecule details ›
Chain: A
Length: 305 amino acids
Theoretical weight: 34.64 KDa
Source organism: Thermotoga maritima
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9X1X7 (Residues: 1-298; Coverage: 100%)
Gene names: TM_1644, nadA
Sequence domains: Quinolinate synthetase A protein
Structure domains: NadA-like

Ligands and Environments

5 bound ligands:
Ligand SF4 1 x SF4
Ligand XQB 1 x XQB
Ligand GOL 1 x GOL
Ligand CL 2 x CL
Ligand YQA 1 x YQA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P21
Unit cell:
a: 55.5Å b: 48.95Å c: 61.25Å
α: 90° β: 107.27° γ: 90°
R-values:
R R work R free
0.136 0.134 0.179
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 citation in other articles

An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
Esakova et al. (2019)
2 more