7G7H: Crystal Structure of rat Autotaxin in complex with (E)-N-methyl-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]-N-(2-phenoxyethyl)prop-2-enamide, i.e. SMILES CC1=NN(N=N1)Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)N(CCOc1ccccc1)C with IC50=0.00849012 mic

PDB ID: 7G7HDownload
MMDB ID: 256826
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.79  Å
Source Organism:
Similar Structures:
Biological Unit for 7G7H: monomeric; determined by author and by software (PISA)
Molecular Components in 7G7H
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 (16 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
2
CALCIUM IONCALCIUM ION
5
1
(2E)-N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-(2-phenoxyethyl)prop-2-enamide(2E)-N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-(2-phenoxyethyl)prop-2-enamide
6
1
ACETATE IONACETATE ION
7
1
POTASSIUM IONPOTASSIUM ION
8
1
CHLORIDE IONCHLORIDE ION
9
1
ZINC IONZINC ION
10
1
SODIUM IONSODIUM 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