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Literature summary for 2.1.1.28 extracted from

  • Gee, C.L.; Drinkwater, N.; Tyndall, J.D.; Grunewald, G.L.; Wu, Q.; McLeish, M.J.; Martin, J.L.
    Enzyme adaptation to inhibitor binding: A cryptic binding site in phenylethanolamine N-methyltransferase (2007), J. Med. Chem., 50, 6441.
No PubMed abstract available
Search for more literature for 2.1.1.28

Cloned(Commentary)

Cloned (Comment) Organism
expression of C-terminally His6-tagged wild-type and mutant enzymes Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
purified recombinant His6-tagged wild-type and mutant K75A enzymes in complex with S-adenosyl-L-methionine or S-adenosyl-L-homocysteine, and with inhibitors (R)-4, (R)-5, (R)-6, and (R)-7, X-ray diffraction structure determination and analysis at 2.0-2.8 A resolution Homo sapiens

Protein Variants

Protein Variants Comment Organism
K75A crystal structure determination and comparison to the wild-type enzyme structure Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
-
 Homo sapiens
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
-
 Homo sapiens
3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
-
 Homo sapiens
3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
-
 Homo sapiens
7-aminosulfonyl-1,2,3,4-tetrahydroisoquinoline i.e. SK&F 29661 Homo sapiens
7-iodo-1,2,3,4-tetrahydroisoquinoline
-
 Homo sapiens
7-nitro-1,2,3,4-tetrahydroisoquinoline
-
 Homo sapiens
additional information importance of protein flexibility in structure-based inhibitor design Homo sapiens
N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
-
 Homo sapiens
N-(4-chlorophenyl)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
-
 Homo sapiens
N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
S-adenosyl-L-methionine + phenylethanolamine Homo sapiens
-
 S-adenosyl-L-homocysteine + N-methylphenylethanolamine
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Purification (Commentary)

Purification (Comment) Organism
recombinant C-terminally His6-tagged wild-type and mutant enzymes Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
S-adenosyl-L-methionine + phenylethanolamine
-
 Homo sapiens S-adenosyl-L-homocysteine + N-methylphenylethanolamine
-
 ?

Synonyms

Synonyms Comment Organism
PNMT
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
30
-
 assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
8
-
 assay at Homo sapiens

Cofactor

Cofactor Comment Organism Structure
S-adenosyl-L-methionine
-
 Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
additional information
-
 additional information enzyme kinetics using competitive tight-binding inhibition routine Homo sapiens
0.000001
-
 N-(4-chlorophenyl)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, mutant G57A Homo sapiens
0.0000013
-
 N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, mutant G57A Homo sapiens
0.0000014
-
 N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, mutant G57A Homo sapiens
0.0000018
-
 3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline pH 8.0, 30°C, mutant G57A Homo sapiens
0.000017
-
 (7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.000017
-
 3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, mutant G57A Homo sapiens
0.000035
-
 3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.000039
-
 N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.00004
-
 7-iodo-1,2,3,4-tetrahydroisoquinoline pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.000046
-
 N-(4-chlorophenyl)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.00007
-
 7-nitro-1,2,3,4-tetrahydroisoquinoline pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.00012
-
 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.000145
-
 (7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol pH 8.0, 30°C, mutant G57A Homo sapiens
0.00021
-
 N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.000315
-
 3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline pH 8.0, 30°C, wild-type enzyme Homo sapiens
0.00074
-
 7-iodo-1,2,3,4-tetrahydroisoquinoline pH 8.0, 30°C, mutant G57A Homo sapiens
0.00137
-
 7-nitro-1,2,3,4-tetrahydroisoquinoline pH 8.0, 30°C, mutant G57A Homo sapiens
0.0069
-
 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide pH 8.0, 30°C, mutant G57A Homo sapiens