› 8c3p

X-ray diffraction
2.38Å resolution

Crystal structure of autotaxin gamma in complex with LPA 18:1

Released:
DOI: 10.2210/pdb8c3p/pdb
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PDB entry 8c3p coloured by chain, front view.
PDB entry 8c3p coloured by chain, side view.
PDB entry 8c3p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eymery MC, Nguyen KA, Basu S, Hausmann J, Tran-Nguyen VK, Seidel HP, Gutierrez L, Boumendjel A, McCarthy AA
Eur J Med Chem 263 115944 (2023)
PMID: 37976710

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:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171821 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Autotaxin Chains: A, B
Molecule details ›
Chains: A, B
Length: 888 amino acids
Theoretical weight: 102.02 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q13822 (Residues: 1-593, 594-863; Coverage: 100%)
  • Best match: Q13822-3 (Residues: 1-888)
Gene names: ATX, ENPP2, PDNP2
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
6 bound ligands:
Ligand 5JK 2 x 5JK
Ligand NKP 2 x NKP
Ligand IOD 17 x IOD
Ligand CA 4 x CA
Ligand ZN 4 x ZN
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P21
Unit cell:
a: 53.94Å b: 57.22Å c: 287.926Å
α: 90° β: 92.722° γ: 90°
R-values:
R R work R free
0.225 0.222 0.28
Expression system: Homo sapiens

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Citations

1 review citation

Linking the Autotaxin-LPA Axis to Medicinal Cannabis and the Endocannabinoid System.
Eymery et al. (2024)
1 other article

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