5M0E: Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors

PDB ID: 5M0EDownload
MMDB ID: 153628
PDB Deposition Date: 2016/10/4
Updated in MMDB: 2019/10
Experimental Method:
x-ray diffraction
Resolution: 1.95  Å
Source Organism:
Similar Structures:
Biological Unit for 5M0E: monomeric; determined by software (PISA)
Molecular Components in 5M0E
Label Count Molecule
Protein (1 molecule)
1
Ectonucleotide Pyrophosphatase/phosphodiesterase Family Member 2
(Gene symbol: Enpp2)
Molecule annotation
Chemicals and Non-standard biopolymers (46 molecules)
1
2
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
14
IODIDE IONIODIDE ION
5
1
CALCIUM IONCALCIUM ION
6
2
SODIUM IONSODIUM ION
7
1
7alpha-hydroxycholesterol7alpha-hydroxycholesterol
8
1
[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
9
17
THIOCYANATE IONTHIOCYANATE ION
10
5
GLYCEROLGLYCEROL
* 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