Het-PDB Navi2 (PDB: 4EHF)

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Ligands
Code	Name		Style	Show	Link

Non-standard Residues
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Glycosylation
Code	Name	Emphasize

Modification
Code	Name	Show
ACE	Acetyl group
0QE	Chloromethane

Download interaction data: 4EHF

Code :

4EHF PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Allosteric Modulation of Caspase-3 through Mutagenesis

Release Data :

2012-06-06

Compound :

mol_id	molecule	chains	synonym
1	Caspase-3	A	CASP-3, Apopain, Cysteine protease CPP32, CPP-32, Protein Yama, SREBP cleavage activity 1, SCA-1, Caspase-3 subunit p17, Caspase-3 subunit p12
	ec: 3.4.22.56 mutation: Y197C,V266H

mol_id	molecule	chains
2	ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR	B

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: CASP3, CPP32

mol_id	organism_scientific
2	Synthetic construct (taxid:32630)
	synthetic: yes

Authors :

Walters, J., Schipper, J.L., Swartz, P.D., Mattos, C., Clark, A.C.

Keywords :

caspase, apoptosis, allosteric inhibition, protein ensembles, HYDROLASE-HYDROLASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.655 Å )

Citation :

Allosteric modulation of caspase 3 through mutagenesis.

Walters, J.,Schipper, J.L.,Swartz, P. et al.
(2012) Biosci.Rep. 32 : 401 - 411

Chain :

UniProt :

P42574 (CASP3_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
Strict requirement for an Asp residue at positions P1 and P4. It has a preferred cleavage sequence of Asp-Xaa-Xaa-Asp-\|- with a hydrophobic amino-acid residue at P2 and a hydrophilic amino-acid residue at P3, although Val or Ala are also accepted at this position.	3.4.22.56	PubMed:16374543, PubMed:18723680, PubMed:20566630, PubMed:23152800, PubMed:23650375, PubMed:23845944, PubMed:30878284, PubMed:33725486, PubMed:7596430
	-

PDB ID: 4EHF