› 2xrg

X-ray diffraction
3.2Å resolution

Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor

Released:
DOI: 10.2210/pdb2xrg/pdb
PDB entry 2xrg coloured by chain, front view.
PDB entry 2xrg coloured by chain, side view.
PDB entry 2xrg coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Structural basis of substrate discrimination and integrin binding by autotaxin.
Hausmann J, Kamtekar S, Christodoulou E, Day JE, Wu T, Fulkerson Z, Albers HM, van Meeteren LA, Houben AJ, van Zeijl L, Jansen S, Andries M, Hall T, Pegg LE, Benson TE, Kasiem M, Harlos K, Kooi CW, Smyth SS, Ovaa H, Bollen M, Morris AJ, Moolenaar WH, Perrakis A
Nat Struct Mol Biol 18 198-204 (2011)
PMID: 21240271

Function and Biology Details

Reaction catalysed: 
1-alkyl-sn-glycero-3-phosphoethanolamine + H(2)O = 1-alkyl-sn-glycerol 3-phosphate + ethanolamine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

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):
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 Chain: A
Molecule details ›
Chain: A
Length: 862 amino acids
Theoretical weight: 98.87 KDa
Source organism: Rattus norvegicus
Expression system: Homo sapiens
UniProt:
  • Canonical: Q64610 (Residues: 1-887; Coverage: 97%)
Gene names: Atx, Enpp2, Npps2
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
4 bound ligands:
Ligand SWH 1 x SWH
Ligand ZN 2 x ZN
Ligand CA 1 x CA
Ligand IOD 5 x IOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 63.995Å b: 90.204Å c: 152.672Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.201 0.255
Expression system: Homo sapiens

Quick links

Citations

48 review citations

Phospholipase D: enzymology, functionality, and chemical modulation.
Selvy et al. (2011)
47 more

14 mentions without citation

Cellular function and molecular structure of ecto-nucleotidases.
Zimmermann et al. (2012)
13 more