1RWV: Human caspase-1

Crystal structure of human caspase-1 in complex with 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid. Determined by X-ray diffraction at 2.1 Å resolution. Released 28 Dec 2004.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,338
Mol. weight: 30.65 kDa
Ligands: 5PH
Released: 28 Dec 2004

Explore 1RWV in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1RWV contains 11 α-helices and 15 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	134-137	4
α-helix	138-147	10
β-strand	152	1	1
β-strand	164-169	6	2
α-helix	177-178	2
α-helix	182-195	14
β-strand	199-204	6	2
α-helix	208-219	12
α-helix	222-226	5
β-strand	230-235	6	2
β-strand	238-239	2	3
β-strand	242-244	3	3
α-helix	245	1
β-strand	255-256	2	3
α-helix	258-265	8
α-helix	271-273	3
β-strand	278-283	6	2
β-strand	289	1	4

Chain B: 2 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	327-331	5	2
β-strand	337	1	4
β-strand	342	1	5
β-strand	346	1	5
α-helix	348-360	13
α-helix	366-376	11
β-strand	388-390	3	2
β-strand	397	1	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Interleukin-1 beta convertase	A	protein	178	Homo sapiens	P29466 (AlphaFold model)
Interleukin-1 beta convertase	B	protein	88	Homo sapiens	P29466 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>1RWV_1 Interleukin-1 beta convertase (chains A)
NPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRR
TGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGI
REGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKD

Sequence of entity 2 (B), FASTA

>1RWV_2 Interleukin-1 beta convertase (chains B)
AIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFS
FEQPDGRAQMPTTERVTLTRCFYLFPGH

Ligands and cofactors

ID	Name	Formula	Copies
5PH	5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydrox…	C24 H28 N2 O9 S	1

Primary citation

Novel Caspase-1 Inhibitors Discovered Using Tethering(SM) with Extenders. O'Brien, T., Fahr, B.T., Sopko, M.M. et al. To be published.

Other PDB entries of the same protein (UniProt P29466 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8WRA 1.45 Å, The Crystal Structure of CASP1 from Biortus
6BZ9 1.8 Å, Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK
1SC3 1.8 Å, Crystal structure of the human caspase-1 C285A mutant in complex with malonate
2H54 1.8 Å, Crystal structure of human caspase-1 (Thr388->Ala) in complex with…
2HBQ 1.8 Å, Crystal structure of wildtype human caspase-1 in complex with…
3D6M 1.8 Å, Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution…
6F6R 1.8 Å, Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3…
1RWX 1.85 Å, Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-b…
2H4Y 1.9 Å, Crystal structure of human caspase-1 (Arg286->Lys) in complex with…
2HBZ 1.9 Å, Crystal structure of human caspase-1 (Arg286->Ala, Glu390->Ala) in complex with…
3D6F 1.9 Å, Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution…
6PZP 1.94 Å, Crystal structure of caspase-1 in complex with VX-765

Browse structure collections

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