7G52: Crystal Structure of rat Autotaxin in complex with 3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-1H-pyridazin-6-one, i.e. SMILES O(CC1=NNC(=O)C=C1)c1c(cc(c(c1)C)Cl)C(C)C with IC50=0.043937 microM

PDB ID: 7G52Download
MMDB ID: 256739
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 7G52: monomeric; determined by author and by software (PISA)
Molecular Components in 7G52
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
1
6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one
5
2
SULFATE IONSULFATE ION
6
2
CALCIUM IONCALCIUM ION
7
1
ZINC IONZINC ION
8
2
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