7G5J: Crystal Structure of rat Autotaxin in complex with (7E)-7-[(4-bromophenyl)methylidene]-12H-isoquinolino[2,3-a]quinazolin-5-one, i.e. SMILES N12C(=NC(=O)c3c1cccc3)/C(=C/c1ccc(cc1)Br)/c1c(C2)cccc1 with IC50=0.173306 microM

PDB ID: 7G5JDownload
MMDB ID: 256756
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 2.18  Å
Source Organism:
Similar Structures:
Biological Unit for 7G5J: monomeric; determined by author and by software (PISA)
Molecular Components in 7G5J
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 (15 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
(7E,13S)-7-[(4-bromophenyl)methylidene]-7,12-dihydro-5H-isoquinolino[2,3-a]quinazolin-5-one(7E,13S)-7-[(4-bromophenyl)methylidene]-7,12-dihydro-5H-isoquinolino[2,3-a]quinazolin-5-one
5
1
ZINC IONZINC ION
6
1
ACETATE IONACETATE ION
7
1
CALCIUM IONCALCIUM ION
8
1
SODIUM IONSODIUM ION
9
1
POTASSIUM IONPOTASSIUM 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