› 2nx3

X-ray diffraction
2.1Å resolution

Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase

Released:
DOI: 10.2210/pdb2nx3/pdb
PDB entry 2nx3 coloured by chain, front view.
PDB entry 2nx3 coloured by chain, side view.
PDB entry 2nx3 coloured by chain, top view.
Source organism: Aquifex aeolicus
Primary publication:
Structural and mechanistic changes along an engineered path from metallo to nonmetallo 3-deoxy-D-manno-octulosonate 8-phosphate synthases.
Kona F, Xu X, Martin P, Kuzmic P, Gatti DL
Biochemistry 46 4532-44 (2007)
PMID: 17381075

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, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 267 amino acids
Theoretical weight: 29.74 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli
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

3 bound ligands:
Ligand PEP 11 x PEP
Ligand A5P 11 x A5P
Ligand 1NT 1 x 1NT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 76.381Å b: 198.528Å c: 125.834Å
α: 90° β: 94.19° γ: 90°
R-values:
R R work R free
0.216 0.216 0.261
Expression system: Escherichia coli

Quick links

Citations

9 citation in other articles

Potent inhibitors of a shikimate pathway enzyme from Mycobacterium tuberculosis: combining mechanism- and modeling-based design.
Reichau et al. (2011)
8 more