Crystallization (Comment) | Organism |
---|---|
about 6 mg/ml alpha-thrombin in ternary complex with hirugen and inhibitor RWJ-51438, in 50 mM phosphate buffer, pH 7.3, room temperature, hanging drop method, equal volume of 0.003 mL of protein complex and reservoir solution, the latter containing 0.1 M sodium cacodylate, pH 6.5, 0.75 M sodium acetate, 0.01% w/v sodium azide, 20% w/v PEG 4000, equilibration against 1 ml reservoir solution, 5 days, X-ray diffraction structure determination and analysis at 1.7 A resolution with 25% glycerol as cryoprotectant | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
RWJ-50353 | carboxylated derivative of RWJ-51438, benzothiazole-activated inhibitor | Homo sapiens | |
RWJ-51438 | benzothiazole-activated inhibitor, binds to His57 of the enzyme via hydrogen bond, the carboxylate substituent on the benzothiazole group forms salt bridges with Lys60F NZ and the NZ of the symmetry-related residues Lys236 and Lys240, which introduces steric effects that perturb the 60A-60I insertion loop, especially at residues Trp60D and Phe60H | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Reaction | Comment | Organism | Reaction ID |
---|---|---|---|
selective cleavage of Arg-/-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B | active site and P1' interactions, overview | Homo sapiens |
Synonyms | Comment | Organism |
---|---|---|
alpha-thrombin | - |
Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.00000000000014 | - |
RWJ-50353 | - |
Homo sapiens | |
0.0000000000011 | - |
RWJ-51438 | - |
Homo sapiens |