7G5W: Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl 4-[(1H-benzotriazole-5-carbonylamino)methyl]-4-hydroxypiperidine-1-carboxylate, i.e. SMILES C1CN(CCC1(O)CNC(=O)c1cc2c(cc1)NN=N2)C(=O)OCc1ccc(cc1)OC(F)(F)F with IC50=0.01

PDB ID: 7G5WDownload
MMDB ID: 256769
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.96  Å
Source Organism:
Similar Structures:
Biological Unit for 7G5W: monomeric; determined by author and by software (PISA)
Molecular Components in 7G5W
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
[4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate[4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate
5
1
ACETATE IONACETATE ION
6
1
POTASSIUM IONPOTASSIUM ION
7
1
ZINC IONZINC ION
8
1
SODIUM IONSODIUM ION
9
1
CALCIUM IONCALCIUM ION
10
1
CHLORIDE IONCHLORIDE 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