Reaction Details  Report a problem with these data
Cell Reactant:
Caspase-3
Syringe Reactant:
BDBM10348
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
12/19/07
ΔG°:
-10.3±n/a (kcal/mole)
pH:
7.2±n/a
Log10Kb:
6.6
Temperature:
298.15±n/a (K)
ΔHobs :
-12.04±0.06 (kJ/mole)
Corrected for ΔHioniz:
no
Stoich. Param.:
0.63
ΔS° :
-0.01±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:
BDBM10348
Synonyms:
5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione | 5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | IST-1 | Pyridine Analogue 20
Type:
Small organic molecule
Emp. Form.:
C18H17N3O5S
Mol. Mass.:
387.41
SMILES:
O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
Structure:
Search PDB for entries with ligand similarity: