5K0L: Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole

PDB ID: 5K0LDownload
MMDB ID: 142853
PDB Deposition Date: 2016/5/17
Updated in MMDB: 2016/12
Experimental Method:
x-ray diffraction
Resolution: 2.02  Å
Source Organism:
Similar Structures:
Biological Unit for 5K0L: monomeric; determined by author
Molecular Components in 5K0L
Label Count Molecule
Protein (1 molecule)
1
Catechol O-methyltransferase
(Gene symbol: Comt)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
MAGNESIUM IONMAGNESIUM ION
2
1
5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
3
2
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
4
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