Brand  (β version)

PDB ID: 5P9B

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Ligands
Code Name Style Show Link
77P N-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide PoSSuM
CL Chloride ion PoSSuM
MG Magnesium ion PoSSuM
NHE 2-[N-cyclohexylamino]ethane sulfonic acid PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5P9B   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : rat catechol O-methyltransferase in complex with N-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide at 1.45A
Release Data : 2017-08-30
Compound :
mol_id molecule chains
1 Catechol O-methyltransferase A
ec: 2.1.1.6
fragment: SOLUBLE FORM, RESIDUES 44-264
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat Escherichia coli  (taxid:562)
gene: Comt
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
Authors : Ehler, A., Lerner, C., Rudolph, M.G.
Keywords : METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 1.4500 Å )
Citation :

Crystal Structure of a COMT complex

Lerner, C.,Rudolph, M.G.
To be published 

Reaction

Chain : A
UniProt : P22734 (COMT_RAT)
Reaction: EC: Evidence:
Physiological Direction:
a catechol + S-adenosyl-L-methionine = a guaiacol + H(+) + S- adenosyl-L-homocysteine 2.1.1.6 UniProtKB:P21964
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2-hydroxyestrone + S-adenosyl-L-methionine = 2-hydroxy-3- methoxy-estrone + H(+) + S-adenosyl-L-homocysteine - UniProtKB:P21964
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4-hydroxyestrone + S-adenosyl-L-methionine = 4-methoxyestrone + H(+) + S-adenosyl-L-homocysteine - UniProtKB:P21964
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2-hydroxyestrone + S-adenosyl-L-methionine = 2-methoxyestrone + H(+) + S-adenosyl-L-homocysteine - UniProtKB:P21964
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4-hydroxy-17beta-estradiol + S-adenosyl-L-methionine = 4- methoxy-17beta-estradiol + H(+) + S-adenosyl-L-homocysteine - UniProtKB:P21964
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2-hydroxy-17beta-estradiol + S-adenosyl-L-methionine = 2- hydroxy-3-methoxy-17beta-estradiol + H(+) + S-adenosyl-L- homocysteine - UniProtKB:P21964
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2-hydroxy-17beta-estradiol + S-adenosyl-L-methionine = 2- methoxy-17beta-estradiol + H(+) + S-adenosyl-L-homocysteine - UniProtKB:P21964
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