7G3V: Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-chloro-4-[[5-(6-methoxypyrimidin-4-yl)-1-methylimidazol-2-yl]methoxy]benzonitrile, i.e. SMILES c1c(c(cc(c1C(C)(C)C)OCC1=NC=C(N1C)c1cc(ncn1)OC)Cl)C#N with IC50=0.0417382 microM

PDB ID: 7G3VDownload
MMDB ID: 256696
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.74  Å
Source Organism:
Similar Structures:
Biological Unit for 7G3V: monomeric; determined by author and by software (PISA)
Molecular Components in 7G3V
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 (17 molecules)
1
2
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
6
alpha-D-mannopyranosealpha-D-mannopyranose
3
1
5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile
4
1
ZINC IONZINC ION
5
1
SODIUM IONSODIUM ION
6
2
CALCIUM IONCALCIUM ION
7
1
POTASSIUM IONPOTASSIUM ION
8
2
ACETATE IONACETATE ION
9
1
SULFATE IONSULFATE 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