5K0B: Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole

PDB ID: 5K0BDownload
MMDB ID: 142847
PDB Deposition Date: 2016/5/17
Updated in MMDB: 2016/12
Experimental Method:
x-ray diffraction
Resolution: 2.36  Å
Source Organism:
Similar Structures:
Biological Unit for 5K0B: monomeric; determined by author
Molecular Components in 5K0B
Label Count Molecule
Protein (1 molecule)
1
Catechol O-methyltransferase
(Gene symbol: Comt)
Molecule annotation
Chemicals and Non-standard biopolymers (10 molecules)
1
1
2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole
2
3
PHOSPHATE IONPHOSPHATE ION
3
2
POTASSIUM IONPOTASSIUM ION
4
2
3-CYCLOHEXYL-1-PROPYLSULFONIC ACID3-CYCLOHEXYL-1-PROPYLSULFONIC ACID
5
1
1,2-ETHANEDIOL1,2-ETHANEDIOL
6
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