› 6i0r

X-ray diffraction
2.1Å resolution

Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid

Released:
DOI: 10.2210/pdb6i0r/pdb
PDB entry 6i0r coloured by chain, front view.
PDB entry 6i0r coloured by chain, side view.
PDB entry 6i0r coloured by chain, top view.
Source organism: Thermotoga maritima MSB8
Primary publication:
Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Saez Cabodevilla J, Volbeda A, Hamelin O, Latour JM, Gigarel O, Clémancey M, Darnault C, Reichmann D, Amara P, Fontecilla-Camps JC, Ollagnier de Choudens S
Chem Commun (Camb) 55 3725-3728 (2019)
PMID: 30855610

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 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

3 bound ligands:
Ligand FE 4 x FE
Ligand H2S 4 x H2S
Ligand QAT 1 x QAT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P21
Unit cell:
a: 54.9Å b: 48.5Å c: 60.5Å
α: 90° β: 107.1° γ: 90°
R-values:
R R work R free
0.2 0.198 0.239
Expression system: Escherichia coli BL21(DE3)

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