› 6y5m

X-ray diffraction
2.01Å resolution

Crystal structure of mouse Autotaxin in complex with compound 1a

Released:
DOI: 10.2210/pdb6y5m/pdb
PDB entry 6y5m coloured by chain, front view.
PDB entry 6y5m coloured by chain, side view.
PDB entry 6y5m coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Thomson CG, Le Grand D, Dowling M, Beattie D, Elphick L, Faller M, Freeman M, Hardaker E, Head V, Hemmig R, Hill J, Lister A, Pascoe D, Rieffel S, Shrestha B, Steward O, Zink F
Bioorg Med Chem Lett 31 127663 (2021)
PMID: 33160025

Function and Biology Details

Reactions catalysed: 
1-alkyl-sn-glycero-3-phosphoethanolamine + H(2)O = 1-alkyl-sn-glycerol 3-phosphate + ethanolamine
A phosphatidylcholine + H(2)O = choline + a phosphatidate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193093 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Autotaxin Chain: A
Molecule details ›
Chain: A
Length: 829 amino acids
Theoretical weight: 95.55 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
UniProt:
  • Canonical: Q9R1E6 (Residues: 36-862; Coverage: 99%)
Gene names: Enpp2, Npps2, Pdnp2
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
6 bound ligands:
Ligand NAG 2 x NAG
Ligand ZN 2 x ZN
Ligand PO4 1 x PO4
Ligand CL 2 x CL
Ligand O9W 1 x O9W
Ligand NA 4 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P1
Unit cell:
a: 61.257Å b: 61.199Å c: 67.827Å
α: 87.55° β: 73.05° γ: 80.76°
R-values:
R R work R free
0.166 0.165 0.195
Expression system: Homo sapiens

Quick links

Citations

1 review citation

Design and Development of Autotaxin Inhibitors.
Jia et al. (2021)