5LQA: rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor

PDB ID: 5LQADownload
MMDB ID: 143838
PDB Deposition Date: 2016/8/16
Updated in MMDB: 2016/10
Experimental Method:
x-ray diffraction
Resolution: 1.2  Å
Source Organism:
Similar Structures:
Biological Unit for 5LQA: monomeric; determined by author and by software (PISA)
Molecular Components in 5LQA
Label Count Molecule
Protein (1 molecule)
1
Catechol O-methyltransferase
(Gene symbol: Comt)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
1
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
2
1
N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamideN-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
3
2
SULFATE IONSULFATE ION
4
1
MAGNESIUM IONMAGNESIUM ION
5
2
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