› 1gr0

X-ray diffraction
1.95Å resolution

myo-inositol 1-phosphate synthase from Mycobacterium tuberculosis in complex with NAD and zinc.

Released:
DOI: 10.2210/pdb1gr0/pdb
PDB entry 1gr0 coloured by chain, front view.
PDB entry 1gr0 coloured by chain, side view.
PDB entry 1gr0 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structure of inositol 1-phosphate synthase from Mycobacterium tuberculosis, a key enzyme in phosphatidylinositol synthesis.
Norman RA, McAlister MS, Murray-Rust J, Movahedzadeh F, Stoker NG, McDonald NQ
Structure 10 393-402 (2002)
PMID: 12005437

Function and Biology Details

Reaction catalysed: 
D-glucose 6-phosphate = 1D-myo-inositol 3-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161744 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inositol-3-phosphate synthase Chain: A
Molecule details ›
Chain: A
Length: 367 amino acids
Theoretical weight: 40.14 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WKI1 (Residues: 1-367; Coverage: 100%)
Gene names: MTCY21D4.09c, Rv0046c, ino1
Sequence domains: Myo-inositol-1-phosphate synthase
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
2 bound ligands:
Ligand ZN 1 x ZN
Ligand CAC 1 x CAC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P4212
Unit cell:
a: 116.195Å b: 116.195Å c: 64.544Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.211 0.239
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Diversification and evolution of L-myo-inositol 1-phosphate synthase.
Majumder et al. (2003)
3 more

3 mentions without citation

The JCSG MR pipeline: optimized alignments, multiple models and parallel searches.
Schwarzenbacher et al. (2008)
2 more