7G4V: Crystal Structure of rat Autotaxin in complex with N-(4-imidazol-1-ylbutyl)-N-[[6-(4-propan-2-ylanilino)pyridin-3-yl]methyl]acetamide, i.e. SMILES c1(CN(CCCCN2C=CN=C2)C(=O)C)ccc(nc1)Nc1ccc(cc1)C(C)C with IC50=0.0468706 microM

PDB ID: 7G4VDownload
MMDB ID: 256732
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.84  Å
Source Organism:
Similar Structures:
Biological Unit for 7G4V: monomeric; determined by author and by software (PISA)
Molecular Components in 7G4V
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-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamideN-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide
5
1
ZINC IONZINC ION
6
1
POTASSIUM IONPOTASSIUM 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