7G5B: Crystal Structure of rat Autotaxin in complex with N-[5-[2-(4-fluorophenyl)ethynyl]pyridin-2-yl]acetamide, i.e. SMILES C(#Cc1ccc(F)cc1)c1cnc(NC(=O)C)cc1 with IC50=1.56678 microM

PDB ID: 7G5BDownload
MMDB ID: 256748
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 7G5B: monomeric; determined by author and by software (PISA)
Molecular Components in 7G5B
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
4
alpha-D-mannopyranosealpha-D-mannopyranose
4
1
N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamideN-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide
5
1
ZINC IONZINC ION
6
2
SODIUM IONSODIUM ION
7
1
CALCIUM IONCALCIUM ION
8
1
MALONATE IONMALONATE 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