› 7wr5

X-ray diffraction
3.1Å resolution

Crystal structure of OspC3-calmodulin-caspase-4 complex binding with 2'-aF-NAD+

Released:
DOI: 10.2210/pdb7wr5/pdb
PDB entry 7wr5 coloured by chain, front view.
PDB entry 7wr5 coloured by chain, side view.
PDB entry 7wr5 coloured by chain, top view.
Source organisms:
Primary publication:
Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Hou Y, Zeng H, Li Z, Feng N, Meng F, Xu Y, Li L, Shao F, Ding J
Nat Struct Mol Biol (2023)
PMID: 36624349

Function and Biology Details

Reaction catalysed: 
Strict requirement for Asp at the P1 position. It has a preferred cleavage sequence of Tyr-Val-Ala-Asp-|- but also cleaves at Asp-Glu-Val-Asp-|-
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-101502 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Arginine ADP-riboxanase OspC3 Chain: A
Molecule details ›
Chain: A
Length: 430 amino acids
Theoretical weight: 49.71 KDa
Source organism: Shigella flexneri
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H2US87 (Residues: 53-474; Coverage: 87%)
Gene names: SF_p0115, ospC3
Sequence domains: Shigella flexneri OspC protein
Calmodulin-1 Chain: B
Molecule details ›
Chain: B
Length: 149 amino acids
Theoretical weight: 16.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0DP23 (Residues: 1-149; Coverage: 100%)
Gene names: CALM, CALM1, CAM, CAM1
Sequence domains: EF-hand domain pair
Caspase-4 subunit p20 Chain: C
Molecule details ›
Chain: C
Length: 280 amino acids
Theoretical weight: 32.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P49662 (Residues: 102-377; Coverage: 73%)
Gene names: CASP4, ICH2
Sequence domains: Caspase domain

Ligands and Environments

1 bound ligand:
Ligand 5ZV 1 x 5ZV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Unit cell:
a: 52.317Å b: 120.074Å c: 141.475Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.23 0.226 0.272
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Gasdermins assemble; recent developments in bacteriology and pharmacology.
Greenwood et al. (2023)
2 other articles