7G3G: Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-methyl-4-[(2-oxo-1H-pyridin-3-yl)methoxy]benzonitrile, i.e. SMILES N#Cc1cc(C(C)(C)C)c(OCC2=CC=CNC2=O)cc1C with IC50=0.0896883 microM

PDB ID: 7G3GDownload
MMDB ID: 256681
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.87  Å
Source Organism:
Similar Structures:
Biological Unit for 7G3G: monomeric; determined by author and by software (PISA)
Molecular Components in 7G3G
Label Count Molecule
Protein (1 molecule)
1
Isoform 2 of Ectonucleotide Pyrophosphatase/phosphodiesterase Family Member 2
(Gene symbol: Enpp2)
Molecule annotation
Chemicals and Non-standard biopolymers (18 molecules)
1
2
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
beta-D-mannopyranosebeta-D-mannopyranose
3
5
alpha-D-mannopyranosealpha-D-mannopyranose
4
2
CALCIUM IONCALCIUM ION
5
1
5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile
6
3
ACETATE IONACETATE ION
7
1
CHLORIDE IONCHLORIDE ION
8
1
ZINC IONZINC ION
9
2
SODIUM IONSODIUM ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303