Het-PDB Navi2 (PDB: 3D6F)

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Ligands
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Non-standard Residues
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Glycosylation
Code	Name	Emphasize

Modification
Code	Name	Show
CF0	Fluoromethane
PHQ	Benzyl chlorocarbonate

Download interaction data: 3D6F

Code :

3D6F PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)

Release Data :

2010-03-02

Compound :

mol_id	molecule	chains	synonym
1	Caspase-1	A	CASP-1, Interleukin-1 beta convertase, IL-1BC, IL-1 beta-converting enzyme, ICE, Interleukin-1 beta-converting enzyme, p45, Caspase-1 subunit p20, Caspase-1 subunit p10
	ec: 3.4.22.36 fragment: Caspase-1 subunit p20 mutation: R240Q

mol_id	molecule	chains	synonym
2	Caspase-1	B	CASP-1, Interleukin-1 beta convertase, IL-1BC, IL-1 beta-converting enzyme, ICE, Interleukin-1 beta-converting enzyme, p45, Caspase-1 subunit p20, Caspase-1 subunit p10
	ec: 3.4.22.36 fragment: Caspase-1 subunit p10

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 B

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 B

mol_id	organism_scientific
3
	synthetic: yes

Authors :

Rosen-Wolff, A., Roesler, J., Romanowski, M.J.

Keywords :

catalytic domain, naturally-occurring mutation, Apoptosis, Hydrolase, Protease, Thiol protease, Zymogen, HYDROLASE-HYDROLASE INHIBITOR COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 1.90 Å )

Citation :

Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).

Rosen-Wolff, A.,Romanowski, M.J.,Ritter, L. et al.
To be Published

Chain :

UniProt :

P29466 (CASP1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
Strict requirement for an Asp residue at position P1 and has a preferred cleavage sequence of Tyr-Val-Ala-Asp-\|-.	3.4.22.36	PubMed:1574116, PubMed:22464733
	-	PubMed:1574116, PubMed:22464733

PDB ID: 3D6F

Hetero Atom Contents

Structure summary

Reaction