3NW9: Rat COMT in complex with a methylpurin-containing bisubstrate inhibitor

PDB ID: 3NW9Download
MMDB ID: 89216
PDB Deposition Date: 2010/7/9
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 1.65  Å
Source Organism:
Similar Structures:
Biological Unit for 3NW9: monomeric; determined by author and by software (PISA)
Molecular Components in 3NW9
Label Count Molecule
Protein (1 molecule)
1
Catechol O-methyltransferase
(Gene symbol: Comt)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
1
MAGNESIUM IONMAGNESIUM ION
2
4
CHLORIDE IONCHLORIDE ION
3
1
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
4
1
N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamideN-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
* 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