7G4L: Crystal Structure of rat Autotaxin in complex with N-[2-amino-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]phenyl]acetamide, i.e. SMILES c1c(ccc(c1N)NC(=O)C)C(=O)CCc1ccc(cc1)C(F)(F)F with IC50=0.529423 microM

PDB ID: 7G4LDownload
MMDB ID: 256722
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.71  Å
Source Organism:
Similar Structures:
Biological Unit for 7G4L: monomeric; determined by author and by software (PISA)
Molecular Components in 7G4L
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 (13 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
N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamideN-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide
5
1
ZINC IONZINC ION
6
1
SODIUM IONSODIUM ION
7
1
CALCIUM IONCALCIUM ION
8
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