› 6dyw

X-ray diffraction
1.45Å resolution

Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol

Released:
DOI: 10.2210/pdb6dyw/pdb
PDB entry 6dyw coloured by chain, front view.
PDB entry 6dyw coloured by chain, side view.
PDB entry 6dyw coloured by chain, top view.
Source organism: Helicobacter pylori
Primary publication:
Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
Harijan RK, Hoff O, Ducati RG, Firestone RS, Hirsch BM, Evans GB, Schramm VL, Tyler PC
J Med Chem 62 3286-3296 (2019)
PMID: 30860833

Function and Biology Details

Reactions catalysed: 
6-amino-6-deoxyfutalosine + H(2)O = dehypoxanthine futalosine + adenine
5'-deoxyadenosine + H(2)O = 5-deoxy-D-ribose + adenine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195684 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aminodeoxyfutalosine nucleosidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 245 amino acids
Theoretical weight: 26.89 KDa
Source organism: Helicobacter pylori
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9ZMY2 (Residues: 1-230; Coverage: 100%)
Gene names: jhp_0082, mtn, mtnN
Sequence domains: Phosphorylase superfamily
Structure domains: Nucleoside phosphorylase domain

Ligands and Environments

3 bound ligands:
Ligand EDO 12 x EDO
Ligand OS5 2 x OS5
Ligand NH4 1 x NH4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P41212
Unit cell:
a: 73.346Å b: 73.346Å c: 176.378Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.199
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Helicobacter pylori treatment in the post-antibiotics era-searching for new drug targets.
Roszczenko-Jasińska et al. (2020)
2 other articles

1 mention without citation

Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
Harijan et al. (2019)