› 6ycc

X-ray diffraction
1.3Å resolution

Structure the ananain protease from Ananas comosus covalently bound to the E64 inhibitor

Released:
DOI: 10.2210/pdb6ycc/pdb
PDB entry 6ycc coloured by chain, front view.
PDB entry 6ycc coloured by chain, side view.
PDB entry 6ycc coloured by chain, top view.
Source organism: Ananas comosus
Primary publication:
Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Azarkan M, Maquoi E, Delbrassine F, Herman R, M'Rabet N, Calvo Esposito R, Charlier P, Kerff F
Sci Rep 10 19570 (2020)
PMID: 33177555

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins with broad specificity for peptide bonds. Best reported small molecule substrate Bz-Phe-Val-Arg-|-NHMec, but broader specificity than fruit bromelain.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ananain Chains: A, B
Molecule details ›
Chains: A, B
Length: 216 amino acids
Theoretical weight: 23.45 KDa
Source organism: Ananas comosus
UniProt:
  • Canonical: P80884 (Residues: 123-338; Coverage: 67%)
Gene name: AN1
Sequence domains: Papain family cysteine protease

Ligands and Environments

3 bound ligands:
Ligand E64 2 x E64
Ligand SO4 4 x SO4
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P21
Unit cell:
a: 34.324Å b: 59.486Å c: 119.061Å
α: 90° β: 92.86° γ: 90°
R-values:
R R work R free
0.145 0.144 0.168

Quick links

Citations

2 review citations

Bromelain and Nisin: The Natural Antimicrobials with High Potential in Biomedicine.
Jančič et al. (2021)
1 more

1 mention without citation

Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Azarkan et al. (2020)