3E4C: Procaspase-1 zymogen domain crystal structure

Procaspase-1 zymogen domain crystal structure. Determined by X-ray diffraction at 2.05 Å resolution. Released 30 Dec 2008.

Method: X-ray diffraction
Resolution: 2.05 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,423
Mol. weight: 67.62 kDa
Ligands: MG
Released: 30 Dec 2008

Explore 3E4C in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3E4C contains 29 α-helices and 26 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: 15 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	134-137	4
α-helix	138-148	11
α-helix	149-151	3
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	230-237	8	2
β-strand	238-239	2	3
β-strand	242-244	3	3
β-strand	255-256	2	3
α-helix	258-264	7
α-helix	271-273	3
β-strand	278-285	8	2
β-strand	292-297	6	4
α-helix	308-310	3
α-helix	316-319	4
β-strand	327-332	6	2
α-helix	334-338	5
α-helix	345-347	3
α-helix	348-360	13
α-helix	366-376	11
α-helix	387	1
β-strand	388-390	3	2
β-strand	392	1	5
β-strand	397	1	1

Chain B: 14 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	134-137	4
α-helix	138-148	11
α-helix	149-151	3
β-strand	152	1	6
β-strand	163-169	7	5
α-helix	177-178	2
α-helix	182-195	14
β-strand	198-204	7	5
α-helix	208-220	13
α-helix	222-226	5
β-strand	230-237	8	5
β-strand	238-239	2	7
β-strand	242-244	3	7
β-strand	255-256	2	7
α-helix	258-265	8
α-helix	271-273	3
β-strand	278-285	8	5
β-strand	292-297	6	4
α-helix	308-311	4
α-helix	316-320	5
β-strand	327-332	6	5
α-helix	345-347	3
α-helix	348-360	13
α-helix	366-376	11
β-strand	388-390	3	5
β-strand	392	1	2
β-strand	397	1	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Caspase-1	A, B	protein	302	Homo sapiens	P29466 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3E4C_1 Caspase-1 (chains A, B)
QSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRT
RLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRP
EHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIII
QAARGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRH
PTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFP
GH

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	1

Primary citation

Crystal structure of procaspase-1 zymogen domain reveals insight into inflammatory caspase autoactivation. Elliott, J.M., Rouge, L., Wiesmann, C. et al. J Biol Chem (2009) 284:6546-6553. DOI 10.1074/jbc.M806121200 · 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…
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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