7G7A: Crystal Structure of rat Autotaxin in complex with 2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one, i.e. SMILES O=C1N2C=C(c3ccc(Cl)cc3)N=C2N(C(=C1)C)CCCCC with IC50=0.0671599 microM

PDB ID: 7G7ADownload
MMDB ID: 256819
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.85  Å
Source Organism:
Similar Structures:
Biological Unit for 7G7A: monomeric; determined by author and by software (PISA)
Molecular Components in 7G7A
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 (19 molecules)
1
2
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
beta-D-mannopyranosebeta-D-mannopyranose
3
6
alpha-D-mannopyranosealpha-D-mannopyranose
4
3
CALCIUM IONCALCIUM ION
5
1
ZINC IONZINC ION
6
3
CHLORIDE IONCHLORIDE ION
7
1
(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one
8
1
SODIUM IONSODIUM ION
9
1
ACETATE IONACETATE 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