7G6S: Crystal Structure of rat Autotaxin in complex with 6-chloro-3-[5-cyclopropyl-6-(oxan-4-yloxy)pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine, i.e. SMILES N1=C(c2c(N1)nc(cc2)Cl)c1cc(c(nc1)OC1CCOCC1)C1CC1 with IC50=1.82666 microM

PDB ID: 7G6SDownload
MMDB ID: 256801
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.94  Å
Source Organism:
Similar Structures:
Biological Unit for 7G6S: monomeric; determined by author and by software (PISA)
Molecular Components in 7G6S
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 (15 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
1
CHLORIDE IONCHLORIDE ION
5
1
POTASSIUM IONPOTASSIUM ION
6
1
ACETATE IONACETATE ION
7
1
(3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine(3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine
8
1
ZINC IONZINC ION
9
1
SODIUM IONSODIUM ION
10
1
CALCIUM IONCALCIUM 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