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Literature summary for 3.4.23.16 extracted from

  • Tie, Y.; Boross, P.I.; Wang, Y.F.; Gaddis, L.; Hussain, A.K.; Leshchenko, S.; Ghosh, A.K.; Louis, J.M.; Harrison, R.W.; Weber, I.T.
    High resolution crystal structures of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) active against multi-drug-resistant clinical strains (2004), J. Mol. Biol., 338, 341-352.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
purified recombinant mutant enzymes Q7K/L33I/L63I/C67A/C95A, V82A, and I84V in complex with inhibitor UIC-94017, hanging drop vapour diffusion method, for mutant enzyme Q7K/L33I/L63I/C67A/C95A: 2:1 or 5:1 ratios inhibitor to protein, the well solution contains 30 mM sodium acetate, pH 4.8, 10% w/v NaCl, 10% v/v glycerol, 10% v/v DMSO, and 10% dioxane at room temperature, slightly altered conditions for mutant enzymes V82A and I84V, X-ray diffraction structure determination and analysis at 1.1-1.5 A resolution, overview Human immunodeficiency virus 1

Protein Variants

Protein Variants Comment Organism
I84V site-directed mutagenesis, kinetic and structural studies Human immunodeficiency virus 1
Q7K/L33I/L63I/C67A/C95A site-directed mutagenesis, mutations lead to stabilization of the enzyme for kinetic and structural studies Human immunodeficiency virus 1
V82A site-directed mutagenesis, kinetic and structural studies Human immunodeficiency virus 1

Inhibitors

Inhibitors Comment Organism Structure
UIC-94017 TMC-114, a broad-spectrum, potent non-peptide inhibitor of HIV-1 protease, the inhibitor shows low cytotoxicity, enzyme binding structure analysis Human immunodeficiency virus 1

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.044
-
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide pH 5.0, mutant V82A Human immunodeficiency virus 1
0.055
-
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide pH 5.0, mutant Q7K/L33I/L63I/C67A/C95A Human immunodeficiency virus 1
0.211
-
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide pH 5.0, mutant I84V Human immunodeficiency virus 1

Organism

Organism UniProt Comment Textmining
Human immunodeficiency virus 1
-
i.e. HIV-1
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide + H2O the peptide substrate mimicks the CA-p2 cleavage site Human immunodeficiency virus 1 Lys-Ala-Arg-Val-Nle + 4-nitro-Phe-Glu-Ala-Nle-amide
-
?

Synonyms

Synonyms Comment Organism
HIV-1 protease
-
Human immunodeficiency virus 1

Turnover Number [1/s]

Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
194.5
-
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide pH 5.0, mutant V82A Human immunodeficiency virus 1
285
-
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide pH 5.0, mutant Q7K/L33I/L63I/C67A/C95A Human immunodeficiency virus 1
780
-
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide pH 5.0, mutant I84V Human immunodeficiency virus 1

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
5
-
assay at Human immunodeficiency virus 1

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000001
-
UIC-94017 pH 5.0, mutant Q7K/L33I/L63I/C67A/C95A Human immunodeficiency virus 1
0.0000013
-
UIC-94017 pH 5.0, mutant V82A Human immunodeficiency virus 1
0.0000032
-
UIC-94017 pH 5.0, mutant I84V Human immunodeficiency virus 1