Crystal structure of autotaxin in complex with bi-2545

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• P3G · 3,6,9,12,15-pentaoxaheptadecane · ligand · chains A
• 9V8 · [3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
• MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A
• BMA · beta-D-mannopyranose · sugar
• ZN · Zinc ion · metal · 2 copies · chains A
• CA · Calcium ion · metal · 2 copies · chains A
• NA · Sodium ion · metal · chains A
• K · Potassium ion · metal · chains A
• CL · Chloride ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 5OHI · Crystal structure of autotaxin in complex with BI-2545 · the same entry in another collection · chain A against A, TM-score 1.00
• Q9R1E6 · AlphaFold monomer V2.0 prediction for ectonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE… · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9R1E6
• Elsewhere: RCSB PDB 5OHI · PDBe 5OHI · UniProt Q9R1E6