3r6t Summary

pdbe.org/3r6t
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Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide

The structure was published by Ellermann, M., Lerner, C., Burgy, G., et al., Stihle, M., Diederich, F., and Rudolph, M.G., in 2012 in a paper entitled "Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.2 Å and deposited in 2011.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Catechol O-methyltransferase. This molecule has the UniProt identifier P22734 (COMT_RAT)search. The sample contained 221 residues which is < 90% of the natural sequence. Out of 221 residues 213 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Catechol O-methyltransferase P22734 (44-264) (COMT_RAT)search Rattus norvegicussearch < 90% 221 96%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P22734 (44 - 264) Catechol O-methyltransferase Rattus norvegicus

Chain Sequence family (Pfam)
A O-methyltransferasesearch

Chain ID Molecular function (GO) Biological process (GO)
A (P22734) magnesium ion bindingsearch O-methyltransferase activitysearch catechol O-methyltransferase activitysearch catecholamine metabolic processsearch neurotransmitter catabolic processsearch

Chain InterPro annotation
A O-methyltransferase, family 3search Catechol O-methyltransferase, eukaryoticsearch Catechol O-methyltransferasesearch S-adenosyl-L-methionine-dependent methyltransferase-likesearch