7G3M: Crystal Structure of rat Autotaxin in complex with 2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-3-methyl-N-(oxetan-3-yl)imidazole-4-carboxamide, i.e. SMILES Clc1c(C#N)cc(C(C)(C)C)c(c1)OCC1=NC=C(C(=O)NC2COC2)N1C with IC50=0.0161695 microM

PDB ID: 7G3MDownload
MMDB ID: 256687
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.75  Å
Source Organism:
Similar Structures:
Biological Unit for 7G3M: monomeric; determined by author and by software (PISA)
Molecular Components in 7G3M
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
1
beta-D-mannopyranosebeta-D-mannopyranose
3
5
alpha-D-mannopyranosealpha-D-mannopyranose
4
1
ZINC IONZINC ION
5
2
CALCIUM IONCALCIUM ION
6
1
SODIUM IONSODIUM ION
7
1
POTASSIUM IONPOTASSIUM ION
8
3
ACETATE IONACETATE ION
9
1
2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-N-(oxetan-3-yl)-1H-imidazole-5-carboxamide2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-N-(oxetan-3-yl)-1H-imidazole-5-carboxamide
* 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