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 | 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 | UniProt | Comment | Textmining |
---|---|---|---|
Zika virus | - |
ZIKV | - |
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 | Comment | Organism |
---|---|---|
NS2B-NS3 protease | - |
Zika virus |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NS2B cofactor | - |
Zika virus |
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 | 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 |