7G4O: Crystal Structure of rat Autotaxin in complex with [3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl] 2,2-dimethylpropanoate, i.e. SMILES c1c(cc(c(c1O)C(CCOC(=O)C(C)(C)C)(C)C)C)C with IC50=1.13176 microM

PDB ID: 7G4ODownload
MMDB ID: 256725
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.64  Å
Source Organism:
Similar Structures:
Biological Unit for 7G4O: monomeric; determined by author and by software (PISA)
Molecular Components in 7G4O
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
3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate
5
1
ACETATE IONACETATE ION
6
1
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC ACID
7
1
ZINC IONZINC ION
8
2
SODIUM IONSODIUM ION
9
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