Reaction Details  Report a problem with these data
Cell Reactant:
Caspase-3
Syringe Reactant:
BDBM10320
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
12/19/07
ΔG°:
-10.1±n/a (kcal/mole)
pH:
7.2±n/a
Log10Kb:
6.7
Temperature:
298.15±n/a (K)
ΔHobs :
-10.83±0.19 (kJ/mole)
Corrected for ΔHioniz:
no
Stoich. Param.:
0.6
ΔS° :
-0±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:
BDBM10320
Synonyms:
(S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin | 1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | CHEMBL293034 | IST-2 | Isatin Sulfonamide 31 | Pyrrolidine Isatin Analogue 11a
Type:
Small organic molecule
Emp. Form.:
C20H20N2O5S
Mol. Mass.:
400.448
SMILES:
CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: