› 4uma

X-ray diffraction
1.76Å resolution

Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3 deoxy D arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water

Released:
DOI: 10.2210/pdb4uma/pdb
Model geometry
Fit model/data
PDB entry 4uma coloured by chain, front view.
PDB entry 4uma coloured by chain, side view.
PDB entry 4uma coloured by chain, top view.
Source organism: Neisseria meningitidis MC58
Primary publication:
Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - The importance of accommodating the active site water.
Heyes LC, Reichau S, Cross PJ, Jameson GB, Parker EJ
Bioorg Chem 57 242-250 (2014)
PMID: 25245459

Function and Biology Details

Reaction catalysed: 
Phosphoenolpyruvate + D-erythrose 4-phosphate + H(2)O = 3-deoxy-D-arabino-hept-2-ulosonate 7-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-191737 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phospho-2-dehydro-3-deoxyheptonate aldolase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 351 amino acids
Theoretical weight: 38.71 KDa
Source organism: Neisseria meningitidis MC58
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9K169 (Residues: 1-351; Coverage: 100%)
Gene names: NMB0307, aroG
Sequence domains: DAHP synthetase I family
Structure domains: Aldolase class I

Ligands and Environments

2 bound ligands:
Ligand MN 4 x MN
Ligand GZ3 4 x GZ3
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 73.495Å b: 136.501Å c: 76.157Å
α: 90° β: 96.41° γ: 90°
R-values:
R R work R free
0.192 0.191 0.214
Expression system: Escherichia coli BL21(DE3)

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Citations

2 citation in other articles

Isolation and biochemical characterization of a metagenome-derived 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase gene from subtropical marine mangrove wetland sediments.
Zhao et al. (2019)
1 more