7G50: Crystal Structure of rat Autotaxin in complex with 3-[[2-methylsulfanyl-5-(2,4,6-trichlorobenzoyl)phenyl]methyl]-1H-pyridazin-6-one, i.e. SMILES c1(c(ccc(c1)C(=O)c1c(cc(cc1Cl)Cl)Cl)SC)CC1=NNC(=O)C=C1 with IC50=1.03291 microM

PDB ID: 7G50Download
MMDB ID: 256737
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 2.04  Å
Source Organism:
Similar Structures:
Biological Unit for 7G50: monomeric; determined by author and by software (PISA)
Molecular Components in 7G50
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 (14 molecules)
1
2
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
beta-D-mannopyranosebeta-D-mannopyranose
3
6
alpha-D-mannopyranosealpha-D-mannopyranose
4
1
6-{[2-(methylsulfanyl)-5-(2,4,6-trichlorobenzoyl)phenyl]methyl}pyridazin-3(2H)-one6-{[2-(methylsulfanyl)-5-(2,4,6-trichlorobenzoyl)phenyl]methyl}pyridazin-3(2H)-one
5
1
POTASSIUM IONPOTASSIUM ION
6
1
ZINC IONZINC 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