5LQK: Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-[(4-methylphenyl)methyl]benzamide

PDB ID: 5LQKDownload
MMDB ID: 142701
PDB Deposition Date: 2016/8/17
Updated in MMDB: 2016/10
Experimental Method:
x-ray diffraction
Resolution: 2.24  Å
Source Organism:
Similar Structures:
Biological Unit for 5LQK: monomeric; determined by author and by software (PISA)
Molecular Components in 5LQK
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
2
CHLORIDE IONCHLORIDE ION
3
1
~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide
4
1
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC 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