3qbd

X-ray diffraction
2.47Å resolution

3-Dehydroquinate Synthase (aroB) from Mycobacterium tuberculosis in complex with NAD

Released:
Entry authors: Cheng WC, Chen TJ, Wang WC

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 368 amino acids
Theoretical weight: 38.99 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPX9 (Residues: 1-362; Coverage: 100%)
Gene names: MTCY159.18, Rv2538c, aroB
Sequence domains: 3-dehydroquinate synthase
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P43
Unit cell:
a: 142.829Å b: 142.829Å c: 37.175Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.196 0.258
Expression system: Escherichia coli