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Cell Reactant:Caspase-3
Syringe Reactant:BDBM10348
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:12/19/07
 
ΔG°:-43.1± (kJ/mole)
pH:7.2±n/a
Log10Kb:7.55± 6.60
Temperature:298.15±n/a (K)
ΔH° :n/a
ΔHobs :-50.3±0.251 (kJ/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:no
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:0.63
ΔS° : -0.0245± (kJ/mole-K)
Comments:n/a
 
Citation Aulabaugh, AKapoor, BHuang, XDollings, PHum, WTBanker, AWood, AEllestad, G Biochemical and biophysical characterization of inhibitor binding to caspase-3 reveals induced asymmetry. Biochemistry46:9462-71 (2007) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
Caspase-3
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 | CPP-32 | 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:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10348
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM10348
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
TypeSmall organic molecule
Emp. Form.C18H17N3O5S
Mol. Mass.387.41
SMILESO=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:

   
    

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Last update November 1, 2007
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