1RWX: Human caspase-1

Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid. Determined by X-ray diffraction at 1.85 Å resolution. Released 28 Dec 2004.

Method: X-ray diffraction
Resolution: 1.85 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,393
Mol. weight: 30.69 kDa
Ligands: YBH
Released: 28 Dec 2004

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

Secondary structure: helices and β-sheets

1RWX contains 10 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: 8 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	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	1	3
β-strand	243-244	2	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	341-342	2	5
β-strand	346-347	2	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

>1RWX_1 Interleukin-1 beta convertase (chains A)
NPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRR
TGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGI
REGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKD

Sequence of entity 2 (B), FASTA

>1RWX_2 Interleukin-1 beta convertase (chains B)
AIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFS
FEQPDGRAQMPTTERVTLTRCFYLFPGH

Ligands and cofactors

ID	Name	Formula	Copies
YBH	4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}…	C29 H28 N4 O6 S	1

Primary citation

Tethering identifies fragment that yields potent inhibitors of human caspase-1. Fahr, B.T., O'Brien, T., Pham, P. et al. Bioorg Med Chem Lett (2006) 16:559-562. DOI 10.1016/j.bmcl.2005.10.048 · PubMed

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…
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
1RWN 2.0 Å, Crystal structure of human caspase-1 in complex with 3-{2-ethyl-6-[4-(quinoxalin-2-ylamin…

Browse structure collections

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