› 5hvn

X-ray diffraction
3Å resolution

3.0 Angstrom Crystal Structure of 3-dehydroquinate Synthase (AroB) from Francisella tularensis in Complex with NAD.

Released:
DOI: 10.2210/pdb5hvn/pdb
PDB entry 5hvn coloured by chain, front view.
PDB entry 5hvn coloured by chain, side view.
PDB entry 5hvn coloured by chain, top view.
Source organism: Francisella tularensis subsp. tularensis SCHU S4
Entry authors: Minasov G, Light SH, Shuvalova L, Dubrovska I, Winsor J, Zhou M, Grimshaw S, Kwon K, Joachimiak A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
3-deoxy-D-arabino-hept-2-ulosonate 7-phosphate = 3-dehydroquinate + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177671 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate synthase Chain: A
Molecule details ›
Chain: A
Length: 362 amino acids
Theoretical weight: 40.47 KDa
Source organism: Francisella tularensis subsp. tularensis SCHU S4
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5NFS1 (Residues: 1-359; Coverage: 100%)
Gene names: FTT_1154c, aroB
Sequence domains: 3-dehydroquinate synthase
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
1 bound ligand:
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P6322
Unit cell:
a: 178.978Å b: 178.978Å c: 96.219Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.159 0.157 0.192
Expression system: Escherichia coli BL21(DE3)

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