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Literature summary for 3.4.21.6 extracted from

  • Mueller, M.M.; Sperl, S.; Sturzebecher, J.; Bode, W.; Moroder, L.
    (R)-3-amidinophenylalanine-derived inhibitors of factor Xa with a novel active-site binding mode (2002), Biol. Chem., 383, 1185-1191.
    View publication on PubMed
Search for more literature for 3.4.21.6

Crystallization (Commentary)

Crystallization (Comment) Organism
purified chymotrypsin-treated enzyme, i.e. des-Gla-factor Xa, complexed with inhibitor (R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-phenethyl-propionamide, 20°C, hanging drop vapour diffusion technique, from 0.1 M MES-OH, pH 5.8, 10 mM CaCl2, 18% PEG 6000, 10 mM inhibitor, enlarged by seeding, X-ray diffraction structure determination and analysis at 2.22 A resolution Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-4-cyanobenzylpropionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-4-hydroxyphenethylpropionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-aryl-propionamides
-
 Bos taurus
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-benzylpropionamide non-substrate-like binding mode Bos taurus
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-ethyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-phenethyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-phenpropionyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-propionic acid phenethyl ester
-
 Bos taurus
(R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(2-chloro)-phenethyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(3-chloro)-phenethyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(4-amino)-phenethyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(4-tert-butyl)-phenethyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-aryl-propionamides
-
 Bos taurus
(R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-phenethyl-propionamide
-
 Bos taurus
(R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-phenethyl-propionamides
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
extracellular
-
 Homo sapiens
-
-

Organism

Organism UniProt Comment Textmining
Bos taurus
-
-
-
Homo sapiens
-
-
-

Reaction

Reaction Comment Organism Reaction ID
selective cleavage of Arg-/-Thr and then Arg-/-Ile bonds in prothrombin to form thrombin scutelarin has similar specificity Homo sapiens
a
selective cleavage of Arg-/-Thr and then Arg-/-Ile bonds in prothrombin to form thrombin scutelarin has similar specificity Bos taurus
a

Source Tissue

Source Tissue Comment Organism Textmining
commercial preparation
-
 Bos taurus
-
plasma
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
dimethylsulfonyl-D-norleucine-Gly-Arg-4-nitroanilide + H2O
-
 Bos taurus dimethylsulfonyl-D-norleucine-Gly-Arg + 4-nitroaniline
-
 ?
prothrombin + H2O
-
 Homo sapiens thrombin + ?
-
 ?
prothrombin + H2O
-
 Bos taurus thrombin + ?
-
 ?

Synonyms

Synonyms Comment Organism
factor Xa
-
 Homo sapiens
factor Xa
-
 Bos taurus
More the enzyme belongs to the peptidase family S1, i.e. trypsin family Homo sapiens
More the enzyme belongs to the peptidase family S1, i.e. trypsin family Bos taurus

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
25
-
 assay at Bos taurus

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
8
-
 assay at Bos taurus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
additional information
-
 additional information Ki values for derivatives of (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-aryl-propionamides and (R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-aryl-propionamides, overview Bos taurus
0.000025
-
 (R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-phenethyl-propionamides pH 8.0, 25°C Bos taurus
0.000074
-
 (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-phenethyl-propionamide pH 8.0, 25°C Bos taurus
0.000074
-
 (R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(2-chloro)-phenethyl-propionamide pH 8.0, 25°C Bos taurus
0.000074
-
 (R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(3-chloro)-phenethyl-propionamide pH 8.0, 25°C Bos taurus
0.00017
-
 (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-4-hydroxyphenethylpropionamide pH 8.0, 25°C Bos taurus
0.00022
-
 (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-benzylpropionamide pH 8.0, 25°C Bos taurus
0.00023
-
 (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-propionic acid phenethyl ester pH 8.0, 25°C Bos taurus
0.00034
-
 (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-ethyl-propionamide pH 8.0, 25°C Bos taurus
0.00049
-
 (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-phenpropionyl-propionamide pH 8.0, 25°C Bos taurus
0.00054
-
 (R)-2-(3-adamant-1-yl-oxycarbonylamino)-3-(3-carbimidoylphenyl)-N-4-cyanobenzylpropionamide pH 8.0, 25°C Bos taurus
0.00095
-
 (R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(4-amino)-phenethyl-propionamide pH 8.0, 25°C Bos taurus
0.002
-
 (R)-2-(3-adamant-1-yl-ureido)-3-(3-carbimidoylphenyl)-N-(4-tert-butyl)-phenethyl-propionamide pH 8.0, 25°C Bos taurus