7G69: Crystal Structure of rat Autotaxin in complex with N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine, i.e. SMILES C12=NN=CN1c1c(N=C2Nc2cc(cc(c2)OC)OC)cccc1 with IC50=2.67272 microM

PDB ID: 7G69Download
MMDB ID: 256782
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.61  Å
Source Organism:
Similar Structures:
Biological Unit for 7G69: monomeric; determined by author and by software (PISA)
Molecular Components in 7G69
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
CALCIUM IONCALCIUM ION
5
1
SULFATE IONSULFATE ION
6
1
ACETATE IONACETATE ION
7
1
(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine(10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
8
1
ZINC IONZINC ION
9
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