Het-PDB Navi2 (PDB: 2FQQ)

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Ligands
Code	Name		Style	Show	Link
F1G	1-methyl-3-trifluoromethyl-1h-thieno[2,3-C]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide				PoSSuM

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Download interaction data: 2FQQ

Code :

2FQQ PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-C]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide

Release Data :

2006-05-16

Compound :

mol_id	molecule	chains
1	Caspase-1	A
	ec: 3.4.22.36 fragment: p20 subunit, residues 120-297 mutation: C285A

mol_id	molecule	chains
2	Caspase-1	B
	ec: 3.4.22.36 fragment: p10 subunit, residues 317-404 mutation: C362A, C364A, C397A

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: CASP1, IL1BC, IL1BCE expression_system_strain: BL21(DE3)Codon+ expression_system_vector_type: PLASMID expression_system_plasmid: pRSET

mol_id	organism_scientific	organism_common	expression_system
2	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: CASP1, IL1BC, IL1BCE expression_system_strain: BL21(DE3)Codon+ expression_system_vector_type: PLASMID expression_system_plasmid: pRSET

Authors :

Scheer, J.M., Wells, J.A., Romanowski, M.J.

Keywords :

Caspase, allosteric inhibitor, HYDROLASE

Exp. method :

X-RAY DIFFRACTION ( 3.30 Å )

Citation :

A common allosteric site and mechanism in caspases

Scheer, J.M.,Romanowski, M.J.,Wells, J.A.
(2006) Proc.Natl.Acad.Sci.USA 103 : 7595 - 7600

PubMed: 16682620
DOI: 10.1073/pnas.0602571103

PDB ID: 2FQQ

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