› 1alw

X-ray diffraction
2.03Å resolution

INHIBITOR AND CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN

Released:
DOI: 10.2210/pdb1alw/pdb
PDB entry 1alw coloured by chain, front view.
PDB entry 1alw coloured by chain, side view.
PDB entry 1alw coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
Lin GD, Chattopadhyay D, Maki M, Wang KK, Carson M, Jin L, Yuen PW, Takano E, Hatanaka M, DeLucas LJ, Narayana SV
Nat Struct Biol 4 539-47 (1997)
PMID: 9228946

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137918 (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: 19.88 KDa
Source organism: Sus scrofa
Expression system: Escherichia coli
UniProt:
  • Canonical: P04574 (Residues: 94-266; Coverage: 65%)
Gene names: CAPN4, CAPNS1
Structure domains: EF-hand

Ligands and Environments

2 bound ligands:
Ligand CA 8 x CA
Ligand ISA 2 x ISA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P21
Unit cell:
a: 49.87Å b: 80.46Å c: 57.08Å
α: 90° β: 91.2° γ: 90°
R-values:
R R work R free
0.21 0.21 0.27
Expression system: Escherichia coli

Quick links

Citations

30 review citations

The calpain system.
Goll et al. (2003)
29 more

3 mentions without citation

Structural properties of non-traditional drug targets present new challenges for virtual screening.
Gowthaman et al. (2013)
2 more