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Literature summary extracted from

  • Hewitt, W.M.; Lountos, G.T.; Zlotkowski, K.; Dahlhauser, S.D.; Saunders, L.B.; Needle, D.; Tropea, J.E.; Zhan, C.; Wei, G.; Ma, B.; Nussinov, R.; Waugh, D.S.; Schneekloth, J.S.
    Insights into the allosteric inhibition of the SUMO E2 enzyme Ubc9 (2016), Angew. Chem. Int. Ed. Engl., 55, 5703-5707 .
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.3.2.23 3-(2-hydroxyphenyl)pyridin-2(1H)-one
-
Homo sapiens
2.3.2.23 5,6-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
-
Homo sapiens
2.3.2.23 5-chloro-1,3-benzoxazole-2-thiol
-
Homo sapiens
2.3.2.23 6-chloro-1,3-benzoxazole-2-thiol
-
Homo sapiens
2.3.2.23 ethyl 3-(2,2'-dihydroxy[1,1'-biphenyl]-4-yl)propanoate
-
Homo sapiens
2.3.2.23 additional information allosteric inhibition of the SUMO E2 enzyme Ubc9. Identification of two distinct small molecule fragments that bind to Ubc9 at a site distal from its catalytic cysteine. These fragments and related compounds inhibit SUMO conjugation to the enzyme with IC50 values of 1.9-5.8 mM. Mechanistic and biophysical analyses, coupled with molecular dynamics simulations, point toward ligand-induced rigidification of Ubc9 as a mechanism of inhibition, overview Homo sapiens
2.3.2.23 [1,1'-biphenyl]-2,2'-diol
-
Homo sapiens
2.3.2.23 [1,1'-biphenyl]-2-ol
-
Homo sapiens
2.3.2.23 [1,1'-biphenyl]-2-sulfonamide
-
Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.3.2.23 S-ubiquitinyl-[E1 ubiquitin-activating enzyme]-L-cysteine + [E2 ubiquitin-conjugating enzyme]-L-cysteine Homo sapiens
-
[E1 ubiquitin-activating enzyme]-L-cysteine + S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine
-
?

Organism

EC Number Organism UniProt Comment Textmining
2.3.2.23 Homo sapiens P63279
-
-

Posttranslational Modification

EC Number Posttranslational Modification Comment Organism
2.3.2.23 sumoylation conjugation of the small ubiquitin-like modifier (SUMO) to protein substrates is an important disease-associated posttranslational modification. The E2 enzyme Ubc9 is sumoylated Homo sapiens

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.3.2.23 S-ubiquitinyl-[E1 ubiquitin-activating enzyme]-L-cysteine + [E2 ubiquitin-conjugating enzyme]-L-cysteine
-
Homo sapiens [E1 ubiquitin-activating enzyme]-L-cysteine + S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine
-
?

Synonyms

EC Number Synonyms Comment Organism
2.3.2.23 E2 enzyme
-
Homo sapiens
2.3.2.23 SUMO E2 enzyme
-
Homo sapiens
2.3.2.23 Ubc9
-
Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.3.2.23 1.9
-
pH and temperature not specified in the publication Homo sapiens [1,1'-biphenyl]-2-ol
2.3.2.23 3
-
pH and temperature not specified in the publication Homo sapiens ethyl 3-(2,2'-dihydroxy[1,1'-biphenyl]-4-yl)propanoate
2.3.2.23 3
-
above, pH and temperature not specified in the publication Homo sapiens 6-chloro-1,3-benzoxazole-2-thiol
2.3.2.23 3
-
above, pH and temperature not specified in the publication Homo sapiens 5,6-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
2.3.2.23 3.1
-
pH and temperature not specified in the publication Homo sapiens [1,1'-biphenyl]-2-sulfonamide
2.3.2.23 5.8
-
pH and temperature not specified in the publication Homo sapiens [1,1'-biphenyl]-2,2'-diol
2.3.2.23 20
-
above, pH and temperature not specified in the publication Homo sapiens 3-(2-hydroxyphenyl)pyridin-2(1H)-one

General Information

EC Number General Information Comment Organism
2.3.2.23 additional information molecular dynamics simulations of Ubc9 Homo sapiens