7G3Z: Crystal Structure of rat Autotaxin in complex with 3-(2-fluoro-4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyltetrazol-1-yl)benzamide, i.e. SMILES C(c1ncc(nc1)C)NC(=O)c1cc(cc(N2C(=NN=N2)CCC)c1)c1ccc(cc1F)C with IC50=0.771863 microM

PDB ID: 7G3ZDownload
MMDB ID: 256700
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 7G3Z: monomeric; determined by author and by software (PISA)
Molecular Components in 7G3Z
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
ACETATE IONACETATE ION
5
1
(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide(1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide
6
1
ZINC IONZINC ION
7
2
CALCIUM IONCALCIUM ION
8
1
CHLORIDE IONCHLORIDE ION
9
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