4XUD: Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid)

PDB ID: 4XUDDownload
MMDB ID: 128657
PDB Deposition Date: 2015/1/25
Updated in MMDB: 2017/12
Experimental Method:
x-ray diffraction
Resolution: 2.4  Å
Source Organism:
Similar Structures:
Biological Unit for 4XUD: monomeric; determined by author
Molecular Components in 4XUD
Label Count Molecule
Protein (1 molecule)
1
Catechol O-methyltransferase
(Gene symbol: COMT)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
1
[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
2
1
MAGNESIUM IONMAGNESIUM ION
3
1
S-ADENOSYLMETHIONINES-ADENOSYLMETHIONINE
4
1
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC ACID
* 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