› 5r22

X-ray diffraction
1.1Å resolution

PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E11, DMSO-free

Released:
DOI: 10.2210/pdb5r22/pdb
PDB entry 5r22 coloured by chain, front view.
PDB entry 5r22 coloured by chain, side view.
PDB entry 5r22 coloured by chain, top view.
Source organism: Cryphonectria parasitica
Primary publication:
F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Wollenhaupt J, Metz A, Barthel T, Lima GMA, Heine A, Mueller U, Klebe G, Weiss MS
Structure 28 694-706.e5 (2020)
PMID: 32413289

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins with specificity similar to that of pepsin A, prefers hydrophobic residues at P1 and P1', but does not cleave 14-Ala-|-Leu-15 in the B chain of insulin or Z-Glu-Tyr. Clots milk.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145946 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endothiapepsin Chain: A
Molecule details ›
Chain: A
Length: 419 amino acids
Theoretical weight: 43.28 KDa
Source organism: Cryphonectria parasitica
UniProt:
  • Canonical: P11838 (Residues: 1-419; Coverage: 100%)
Gene names: EAPA, EPN-1
Sequence domains: Eukaryotic aspartyl protease

Ligands and Environments

1 bound ligand:
Ligand RA7 1 x RA7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX IV BEAMLINE BioMAX
Spacegroup: P21
Unit cell:
a: 45.335Å b: 72.989Å c: 52.762Å
α: 90° β: 109.23° γ: 90°
R-values:
R R work R free
0.157 0.156 0.17

Quick links

Citations

2 review citations

A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
Noske et al. (2021)
1 more

1 mention without citation

Isolation, in silico characterization and chromosomal localization of a group of cDNAs from ciliated epithelial cells after in vitro ciliogenesis.
Maiti et al. (2001)