Literature summary for 3.4.21.6 extracted from

Nar, H.; Bauer, M.; Schmid, A.; Stassen, J.M.; Wienen, W.; Priepke, H.W.M.; Kauffmann, I.K.; Ries, U.J.; Hauel, N.H.
Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors (2001), Structure, 9, 29-37.

Crystallization (Commentary)

Crystallization (Comment)	Organism
chymotrypsin treated factor Xa, i.e. des-Gla(1-44), lacking the Gla domain, free or complexed with inhibitor BIBT0871, 3 mg/ml protein in 10 mM Tris-HCl, pH 7.5, 20 mM sodium chloride, 2 mM calcium chloride, equilibrated against 20% PEG 4000, 0.1 M malate/imidazole, 0.1 M sodium acetate, pH 6.0, some days, X-ray diffraction structure determination and analysis at 1.9-3.0 A, cocrystallization of factor Xa complexed with thrombin and inhibitor BIBR1109	Homo sapiens

Crystallization (Comment)

Organism

chymotrypsin treated factor Xa, i.e. des-Gla(1-44), lacking the Gla domain, free or complexed with inhibitor BIBT0871, 3 mg/ml protein in 10 mM Tris-HCl, pH 7.5, 20 mM sodium chloride, 2 mM calcium chloride, equilibrated against 20% PEG 4000, 0.1 M malate/imidazole, 0.1 M sodium acetate, pH 6.0, some days, X-ray diffraction structure determination and analysis at 1.9-3.0 A, cocrystallization of factor Xa complexed with thrombin and inhibitor BIBR1109

Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
BIBM1015	4-(1-methyl-benzimidazole-based inhibitor)	Homo sapiens
BIBR1109	4-(1-methyl-benzimidazole-based inhibitor)	Homo sapiens
BIBT0871	possesses a 1-methyl-benzimidazole scaffold placing the methyl substitutent into the S2-subsite, pyridinyl moiety interacts with F174, binding structure	Homo sapiens
heparin	inhibition via complex formation with and modulation of the activity of thrombin	Homo sapiens
additional information	binding mode of dual specific inhibitors, with a N-methyl-benzimidazole scaffold, of thrombin and factor Xa, overview	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
prothrombin + H2O	Homo sapiens	-	thrombin + ?	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P00742	chymotrypsin treated factor Xa, i.e. des-Gla(1-44), lacking the Gla domain	-

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

Source Tissue

Source Tissue	Comment	Organism	Textmining
commercial preparation	-	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
prothrombin + H2O	-	Homo sapiens	thrombin + ?	-	?

Synonyms

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

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
0.000015	-	BIBM1015	pH 8.0, 37°C	Homo sapiens
0.00004	-	BIBR1109	pH 8.0, 37°C	Homo sapiens
0.000057	-	BIBT0871	pH 8.0, 37°C	Homo sapiens