› 1zji

X-ray diffraction
2.25Å resolution

Aquifex aeolicus KDO8PS R106G mutant in complex with 2PGA and R5P

Released:
DOI: 10.2210/pdb1zji/pdb
PDB entry 1zji coloured by chain, front view.
PDB entry 1zji coloured by chain, side view.
PDB entry 1zji coloured by chain, top view.
Source organism: Aquifex aeolicus
Primary publication:
The catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase: role of the L7 loop.
Xu X, Kona F, Wang J, Lu J, Stemmler T, Gatti DL
Biochemistry 44 12434-44 (2005)
PMID: 16156656

Function and Biology Details

Reaction catalysed: 
Phosphoenolpyruvate + D-arabinose 5-phosphate + H(2)O = 3-deoxy-D-manno-octulosonate 8-phosphate + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130317 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-dehydro-3-deoxyphosphooctonate aldolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 267 amino acids
Theoretical weight: 29.67 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O66496 (Residues: 1-267; Coverage: 100%)
Gene names: aq_085, kdsA
Sequence domains: DAHP synthetase I family
Structure domains: Aldolase class I

Ligands and Environments

4 bound ligands:
Ligand R5P 1 x R5P
Ligand CD 2 x CD
Ligand 2PG 2 x 2PG
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P3121
Unit cell:
a: 84.741Å b: 84.741Å c: 160.6Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.203 0.203 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 citation in other articles

Destabilization of the homotetrameric assembly of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase from the hyperthermophile Pyrococcus furiosus enhances enzymatic activity.
Nazmi et al. (2014)
2 more

1 mention without citation

Efficient Antibacterial/Antifungal Activities: Synthesis, Molecular Docking, Molecular Dynamics, Pharmacokinetic, and Binding Free Energy of Galactopyranoside Derivatives.
Ahmmed et al. (2022)