› 1n3i

X-ray diffraction
1.9Å resolution

Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH

Released:
DOI: 10.2210/pdb1n3i/pdb
PDB entry 1n3i coloured by chain, front view.
PDB entry 1n3i coloured by chain, side view.
PDB entry 1n3i coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Over-the-barrier transition state analogues and crystal structure with Mycobacterium tuberculosis purine nucleoside phosphorylase.
Lewandowicz A, Shi W, Evans GB, Tyler PC, Furneaux RH, Basso LA, Santos DS, Almo SC, Schramm VL
Biochemistry 42 6057-66 (2003)
PMID: 12755607

Function and Biology Details

Reaction catalysed: 
ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161642 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate synthetase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 268 amino acids
Theoretical weight: 27.6 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WIL5 (Residues: 5-47, 48-81, 82-93, 94-126, 127-220; Coverage: 60%)
Gene names: MTCY07H7B.20, Rv3602c, panC
Sequence domains: Pantoate-beta-alanine ligase
Structure domains: Nucleoside phosphorylase domain

Ligands and Environments

2 bound ligands:
Ligand PO4 3 x PO4
Ligand DIH 3 x DIH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P3221
Unit cell:
a: 102.842Å b: 102.842Å c: 128.763Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.183 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Purine and pyrimidine pathways as targets in Plasmodium falciparum.
Cassera et al. (2011)
1 more

1 mention without citation

Methylthioinosine phosphorylase from Pseudomonas aeruginosa. Structure and annotation of a novel enzyme in quorum sensing.
Guan et al. (2011)