Het-PDB Navi2 (PDB: 2H54)

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Ligands
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Glycosylation
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Modification
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CF0	Fluoromethane
PHQ	Benzyl chlorocarbonate

Download interaction data: 2H54

Code :

2H54 PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)

Release Data :

2008-03-11

Compound :

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

mol_id	molecule	chains
2	Caspase-1	B
	ec: 3.4.22.36 fragment: p10 subunit, residues 317-404 mutation: T388A

mol_id	molecule	chains
3	N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide	C

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

mol_id	organism_scientific
3
	synthetic: yes

Authors :

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

Keywords :

allosteric site, dimer interface, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 1.80 Å )

Citation :

An allosteric circuit in caspase-1.

Datta, D.,Scheer, J.M.,Romanowski, M.J. et al.
(2008) J.Mol.Biol. 381 : 1157 - 1167

PubMed: 18590738
DOI: 10.1016/j.jmb.2008.06.040

PDB ID: 2H54

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