Het-PDB Navi2 (PDB: 1RHR)

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Ligands
Code	Name		Style	Show	Link
CNE	(3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[N-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-D-valyl]amino}-4-oxopentanoic acid				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 1RHR

Code :

1RHR PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR

Release Data :

2004-05-11

Compound :

mol_id	molecule	chains	synonym
1	Caspase-3	A	Cysteine protease CPP32, Yama protein, CPP-32, Apopain, CASP-3, SREBP cleavage activity 1, SCA-1
	ec: 3.4.22.- fragment: P17 subunit

mol_id	molecule	chains	synonym
2	Caspase-3	B	Cysteine protease CPP32, Yama protein, CPP-32, Apopain, CASP-3, SREBP cleavage activity 1, SCA-1
	ec: 3.4.22.- fragment: P12 subunit

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli BL21(DE3) (taxid:469008)
	gene: CASP3, CPP32 expression_system_strain: BL21(DE3) expression_system_vector_type: PLASMID

mol_id	organism_scientific	organism_common	expression_system
2	Homo sapiens (taxid:9606)	Human	Escherichia coli BL21(DE3) (taxid:469008)
	gene: CASP3, CPP32 expression_system_strain: BL21(DE3) expression_system_vector_type: PLASMID

Authors :

Becker, J.W., Rotonda, J., Soisson, S.M.

Keywords :

CYSTEINE PROTEASE, CASPASE-3, APOPAIN, CPP32, YAMA, COMPLEX (PROTEASE-INHIBITOR), HYDROLASE

Exp. method :

X-RAY DIFFRACTION ( 3.00 Å )

Citation :

Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.

Becker, J.W.,Rotonda, J.,Soisson, S.M. et al.
(2004) J.Med.Chem. 47 : 2466 - 2474

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: 1RHR