Reaction Details 
Report a problem with these data
Report a problem with these dataCell Reactant:
Caspase-3
Syringe Reactant:
BDBM19729
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
12/19/07
ΔG°:
-45.98±n/a (kJ/mole)
pH:
7.2±n/a
Log10Kb:
7.8
Temperature:
298.15±n/a (K)
ΔHobs :
-11.495±0.1672 (kJ/mole)
Corrected for ΔHioniz:
no
Stoich. Param.:
0.9
ΔS° :
0.1149±n/a (kJ/mole-K)
Citation
Aulabaugh, A; Kapoor, B; Huang, X; Dollings, P; Hum, WT; Banker, A; Wood, A; Ellestad, G Biochemical and biophysical characterization of inhibitor binding to caspase-3 reveals induced asymmetry. Biochemistry 46:9462-71 (2007) [PubMed] Article Cell React
Source:
The DNA sequence encoding the caspase-3 catalytic domain with a C-terminal hexa-His tag was cloned and expressed in Escherichia coli BL21 (DE3) cells.
Purity:
>95%
Prep. Method:
The cell extracts were further purified by Ni-NTA agarose and gel-filtration columns. The purified caspase-3 showed 2 subunits of 20 and 10 kDa on reduced SDS-PAGE.
Name:
Caspase-3
Synonyms:
Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein
Type:
Hydrolase; heterotetramer of two heterodimers
Mol. Mass.:
31607.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
Syringe React
Name:
BDBM19729
Synonyms:
8-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-3,3-dimethyl-2H,3H,4H,10H-pyrimido[1,2-a]indol-10-one | WAY-207890
Type:
Small organic molecule
Emp. Form.:
C19H25N3O4S
Mol. Mass.:
391.484
SMILES:
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:22|
Structure:
