› 7g6e

X-ray diffraction
1.79Å resolution

Crystal Structure of rat Autotaxin in complex with 4-[(7-benzyl-9-methyl-8-oxopurin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide, i.e. SMILES N1(c2c(N(C1=O)Cc1ccccc1)cnc(n2)Nc1ccc(C(=O)NC2CCN(CC2)C)cc1)C with IC50=0.0611585 microM

Released:
DOI: 10.2210/pdb7g6e/pdb
PDB entry 7g6e coloured by chain, front view.
PDB entry 7g6e coloured by chain, side view.
PDB entry 7g6e coloured by chain, top view.
Source organism: Rattus norvegicus
Entry authors: Stihle M, Benz J, Hunziker D, Goodnow R, Rudolph MG

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:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179148 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Autotaxin Chain: A
Molecule details ›
Chain: A
Length: 846 amino acids
Theoretical weight: 97.34 KDa
Source organism: Rattus norvegicus
Expression system: Homo sapiens
UniProt:
  • Canonical: Q64610 (Residues: 28-887; Coverage: 97%)
  • Best match: Q64610-2 (Residues: 28-862)
Gene names: Atx, Enpp2, Npps2
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
8 bound ligands:
Ligand Y2H 1 x Y2H
Ligand K 1 x K
Ligand ACT 1 x ACT
Ligand CL 1 x CL
Ligand CA 2 x CA
Ligand ZN 1 x ZN
Ligand NA 1 x NA
Ligand Y29 1 x Y29
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 83.868Å b: 91.785Å c: 119.587Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.225
Expression system: Homo sapiens

Quick links