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Literature summary for 3.4.21.91 extracted from

  • Li, Y.; Zhang, Z.; Phoo, W.W.; Loh, Y.R.; Wang, W.; Liu, S.; Chen, M.W.; Hung, A.W.; Keller, T.H.; Luo, D.; Kang, C.
    Structural dynamics of Zika virus NS2B-NS3 protease binding to dipeptide inhibitors (2017), Structure, 25, 1242-1250 .
    View publication on PubMed
Search for more literature for 3.4.21.91

Crystallization (Commentary)

Crystallization (Comment) Organism
purified enzyme complex with bound inhibitor (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, X-ray diffraction structure determination and analysis at 2.4 A resolution Zika virus

Inhibitors

Inhibitors Comment Organism Structure
(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide inhibitor-enzyme interaction analysis, crystal structure analysis of the complex, NMR spectrometry, overview Zika virus
acetyl-K-agmatine acetyl-K-agmatine is weakly bound by the ZIKV protease and does inhibit the enzyme. The Arg and Lys residues of acyl-KR-COOH occupy the S1 and S2 sites of the protease, respectively Zika virus
additional information structural dynamics of Zika virus NS2B-NS3 protease binding to dipeptide inhibitors, overview. The unlinked protease forms the closed conformation and the aldehyde group from the inhibitor forms a covalent bond with the side chain of S135. Compounds derived from protease substrate bind to the protease active site. Nuclear magnetic resonance studies demonstrate that the protease-inhibitor complex is in the closed conformation in solution. No inhibition by acyl-KR-COOH Zika virus

Organism

Organism UniProt Comment Textmining
Zika virus
-
 ZIKV
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
benzoyl-Nle-Lys-Arg-Arg-7-amido-4-methylcoumarin + H2O
-
 Zika virus benzoyl-Nle-Lys-Arg-Arg + 7-amino-4-methylcoumarin
-
 ?

Synonyms

Synonyms Comment Organism
NS2B-NS3 protease
-
 Zika virus

Cofactor

Cofactor Comment Organism Structure
NS2B cofactor
-
 Zika virus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000208
-
 pH and temperature not specified in the publication Zika virus (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide

General Information

General Information Comment Organism
additional information the viral protease is a two-component serine protease formed by the N-terminal part of NS3 and the cofactor region of NS2B, a membrane protein essential for the membrane location of NS3 Zika virus