› 5d69

X-ray diffraction
1.97Å resolution

Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-iodoindol-3-yl)acrylic acid) bound

Released:
DOI: 10.2210/pdb5d69/pdb
PDB entry 5d69 coloured by chain, front view.
PDB entry 5d69 coloured by chain, side view.
PDB entry 5d69 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Conformationally restricted calpain inhibitors.
Adams SE, Robinson EJ, Miller DJ, Rizkallah PJ, Hallett MB, Allemann RK
Chem Sci 6 6865-6871 (2015)
PMID: 28757975

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138097 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calpain small subunit 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 173 amino acids
Theoretical weight: 20.02 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04632 (Residues: 96-268; Coverage: 65%)
Gene names: CAPN4, CAPNS, CAPNS1
Structure domains: EF-hand

Ligands and Environments

3 bound ligands:
Ligand CA 8 x CA
Ligand 57T 2 x 57T
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 50.03Å b: 79.65Å c: 57.16Å
α: 90° β: 91.81° γ: 90°
R-values:
R R work R free
0.201 0.199 0.234
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Neutrophil Cell Shape Change: Mechanism and Signalling during Cell Spreading and Phagocytosis.
Roberts et al. (2019)
2 other articles