› 6g74

X-ray diffraction
2Å resolution

Structure of the Y21F variant of quinolinate synthase in complex with phthalate

Released:
DOI: 10.2210/pdb6g74/pdb
PDB entry 6g74 coloured by chain, front view.
PDB entry 6g74 coloured by chain, side view.
PDB entry 6g74 coloured by chain, top view.
Source organism: Thermotoga maritima MSB8
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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 304 amino acids
Theoretical weight: 34.51 KDa
Source organism: Thermotoga maritima MSB8
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

2 bound ligands:
Ligand SF4 2 x SF4
Ligand PHT 2 x PHT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P1
Unit cell:
a: 49.14Å b: 52.16Å c: 58.95Å
α: 103.82° β: 90.63° γ: 90.37°
R-values:
R R work R free
0.192 0.19 0.234
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