4ZG9: Structural basis for inhibition of human autotaxin by four novel compounds

PDB ID: 4ZG9Download
MMDB ID: 133299
PDB Deposition Date: 2015/4/22
Updated in MMDB: 2015/11
Experimental Method:
x-ray diffraction
Resolution: 2.95  Å
Source Organism:
Similar Structures:
Biological Unit for 4ZG9: monomeric; determined by author
Molecular Components in 4ZG9
Label Count Molecule
Protein (1 molecule)
1
Ectonucleotide Pyrophosphatase/phosphodiesterase Family Member 2
(Gene symbol: ENPP2)
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
4
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
beta-D-mannopyranosebeta-D-mannopyranose
3
2
ZINC IONZINC ION
4
1
CALCIUM IONCALCIUM ION
5
2
SODIUM IONSODIUM ION
6
2
3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid
7
2
1,2-ETHANEDIOL1,2-ETHANEDIOL
* 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